Molecule

L-phenylalaninium

AlkaPlorer ID: AK007352

Synonym: '', 'DL-Phenylalanine', '63-91-2', 'fenilalanina', 'alpha-Amino-beta-phenylpropionic acid', 'L-Phenylalanine', 'L-phenylalanine', 'phenylalanine', 'Phenylalanine', 'F', '(2S)-2-amino-3-phenylpropanoate', 'L-Phe', '3-phenyl-L-alanine', 'Phe', 'PHE', 'L-phenylalanine cation', '(1S)-1-carboxy-2-phenylethanaminium', 'Phenylalanin', 'L-phenylalanine anion', 'beta-phenyl-L-alanine', 'PHENYLALANINE', '(S)-alpha-Amino-beta-phenylpropionic acid', '(S)-2-Amino-3-phenylpropionic acid', 'L-phenylalaninate'

IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid

Structure

SMILES: N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N

Reference

Structures of Two New Phenolic Glycosides, Kaempferiaosides A and B, and Hepatoprotective Constituents from the Rhizomes of <i>Kaempferia parviflora</i>

PubChem CID: 6925665

CAS: 149597-92-2

LOTUS: LTS0229311

SuperNatural Ⅲ: SN0051354-02

NPASS: NPC318320

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daucus carota	Daucus	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ovibos moschatus	Ovibos	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Ostrya carpinifolia	Ostrya	Betulaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ginkgo biloba	Ginkgo	Ginkgoaceae	Ginkgoales	Ginkgoopsida	Streptophyta	Viridiplantae	Eukaryota
Codonopsis subglobosa	Codonopsis	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sinapis alba	Sinapis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rehmannia glutinosa	Rehmannia	Orobanchaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cichorium endivia	Cichorium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum platycarpum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cineraria aspera	Cineraria	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum variegatum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cistanche deserticola	Cistanche	Orobanchaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clerodendrum calamitosum	Clerodendrum	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhodospirillum rubrum	Rhodospirillum	Rhodospirillaceae	Rhodospirillales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
Centipeda minima	Centipeda	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ficus simplicissima	Ficus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Calvatia gigantea	Calvatia	Lycoperdaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Brassica juncea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pisum sativum	Pisum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum coreanum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Mentha canadensis	Mentha	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium sativum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Areca catechu	Areca	Arecaceae	Arecales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum officinale	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
Berberis integerrima	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Calvatia fenzlii	Calvatia	Lycoperdaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Taraxacum mongolicum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Calvatia lilacina	Calvatia	Lycoperdaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Fadogia agrestis	Fadogia	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sarcocephalus latifolius	Sarcocephalus	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania dielsiana	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota
Lycium barbarum	Lycium	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chlamydomonas reinhardtii	Chlamydomonas	Chlamydomonadaceae	Chlamydomonadales	Chlorophyceae	Chlorophyta	Viridiplantae	Eukaryota
Cucumis sativus	Cucumis	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Codonopsis pilosula	Codonopsis	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fagopyrum esculentum	Fagopyrum	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brassica oleracea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salvia hispanica	Salvia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Herbertus sakuraii	Herbertus	Herbertaceae	Jungermanniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota
Escherichia coli	Escherichia	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Pinellia ternata	Pinellia	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 165.19199999999995

TPSA？: 63.32000000000001

MolLogP？: 0.641

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus fumigatus	Aspergillus fumigatus	MIC	3000.0	nM	10.1021/jm301407k
Bacillus subtilis	Bacillus subtilis	MIC	11300.0	nM	10.1021/jm301407k
Bacteria	Lipopolysaccharide (LPS)	Activity	nan	None	10.1021/jm301407k
Bacteria	Lipopolysaccharide (LPS)	Inhibition	32.0	%	10.1021/jm301407k
Bacteria	Lipopolysaccharide (LPS)	Inhibition	54.0	%	10.1021/jm301407k
Bacteria	Lipopolysaccharide (LPS)	Inhibition	80.0	%	10.1021/jm301407k
Bos taurus	Intestinal alkaline phosphatase	IC50	80210.0	nM	10.1016/j.bmc.2015.03.054
Bos taurus	Intestinal alkaline phosphatase	IC50	80210.0	nM	10.1016/j.ejmech.2016.11.036
Caenorhabditis elegans	Caenorhabditis elegans	Activity	-2.0	%	10.1038/nature05991
Caenorhabditis elegans	Caenorhabditis elegans	Activity	-1.0	%	10.1038/nature05991
Candida albicans	Candida albicans	MIC	3100.0	nM	10.1021/jm301407k
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Carbonic anhydrase	KA	15.5	uM	10.1016/j.bmc.2009.12.058
Candida glabrata CBS 138	Carbonic anhydrase	Ka	24.1	uM	10.1016/j.bmcl.2010.01.054
Candida parapsilosis	Candida parapsilosis	MIC	3000.0	nM	10.1021/jm301407k
Canis lupus familiaris	MDCK	logPapp	-4.63	None	10.1021/jm901846t
Cryptococcus neoformans	Cryptococcus neoformans	MIC	6100.0	nM	10.1021/jm301407k
Cryptococcus neoformans var. grubii	Carbonic anhydrase 2	KA	44.1	uM	10.1016/j.bmc.2009.12.058
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/jm301407k
Escherichia coli	Escherichia coli	Drug uptake	nan	None	10.1021/jm301407k
Escherichia coli	Escherichia coli	MIC	6000.0	nM	10.1021/jm301407k
Homo sapiens	Acetylcholinesterase	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alkaline phosphatase, tissue-nonspecific isozyme	IC50	5000.0	nM	10.1016/j.bmc.2009.12.012
Homo sapiens	Alkaline phosphatase, tissue-nonspecific isozyme	IC50	100100.0	nM	10.1016/j.ejmech.2017.03.003
Homo sapiens	Alkaline phosphatase, tissue-nonspecific isozyme	IC50	200000.0	nM	10.1016/j.ejmech.2018.09.063
Homo sapiens	Alpha-1a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Carbonic anhydrase I	Activity	160.0	%	10.1016/s0960-894x(03)00507-9
Homo sapiens	Carbonic anhydrase I	Ka	0.07	uM	10.1016/j.bmc.2007.03.004
Homo sapiens	Carbonic anhydrase I	Ka	0.07	uM	10.1016/j.bmcl.2008.06.075
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmc.2010.01.059
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmc.2018.07.011
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmcl.2006.05.023
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmcl.2007.05.052
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmcl.2008.10.005
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmcl.2012.08.088
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmcl.2012.12.009
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.bmcl.2016.11.027
Homo sapiens	Carbonic anhydrase I	KA	0.07	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase I	Kcat	19.8	10'5/s	10.1016/j.bmcl.2012.08.088
Homo sapiens	Carbonic anhydrase I	Kcat	19.8	10^5/s	10.1016/j.bmc.2007.03.004
Homo sapiens	Carbonic anhydrase I	Kcat	19.8	10^5/s	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase I	Kcat	19.8	10^5/s	10.1016/j.bmcl.2007.05.052
Homo sapiens	Carbonic anhydrase II	Activity	210.0	%	10.1016/s0960-894x(03)00507-9
Homo sapiens	Carbonic anhydrase II	Ka	0.013	uM	10.1016/j.bmc.2007.03.004
Homo sapiens	Carbonic anhydrase II	Ka	0.013	uM	10.1016/j.bmcl.2008.06.075
Homo sapiens	Carbonic anhydrase II	Ka	0.013	uM	10.1016/j.bmcl.2009.01.105
Homo sapiens	Carbonic anhydrase II	Ka	0.013	uM	10.1016/j.bmcl.2010.01.054
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmc.2010.01.059
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmc.2018.07.011
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmcl.2006.05.023
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmcl.2007.05.052
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmcl.2008.10.005
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmcl.2012.08.088
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmcl.2012.12.009
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.bmcl.2016.11.027
Homo sapiens	Carbonic anhydrase II	KA	0.013	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase II	Kcat	5.7	10'6/s	10.1016/j.bmcl.2012.08.088
Homo sapiens	Carbonic anhydrase II	Kcat	5.7	10^6/s	10.1016/j.bmc.2007.03.004
Homo sapiens	Carbonic anhydrase II	Kcat	5.7	10^6/s	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase II	Kcat	5.7	10^6/s	10.1016/j.bmcl.2007.05.052
Homo sapiens	Carbonic anhydrase III	Ka	34.7	uM	10.1016/j.bmcl.2008.06.075
Homo sapiens	Carbonic anhydrase III	KA	34.7	uM	10.1016/j.bmcl.2008.10.005
Homo sapiens	Carbonic anhydrase III	KA	35.0	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase IV	Ka	36.3	uM	10.1016/j.bmcl.2008.06.075
Homo sapiens	Carbonic anhydrase IV	KA	4.6	uM	10.1016/j.bmcl.2005.08.069
Homo sapiens	Carbonic anhydrase IV	KA	36.0	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase IV	KA	36.3	uM	10.1016/j.bmcl.2009.05.026
Homo sapiens	Carbonic anhydrase IX	KA	16.0	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase IX	KA	16.3	uM	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase IX	Kcat	4.7	10^5/s	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase VA	KA	9.8	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase VA	KA	9.81	uM	10.1016/j.bmcl.2006.11.075
Homo sapiens	Carbonic anhydrase VB	KA	10.0	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase VB	KA	10.45	uM	10.1016/j.bmcl.2006.11.075
Homo sapiens	Carbonic anhydrase VI	Ka	1.23	uM	10.1016/j.bmc.2007.03.004
Homo sapiens	Carbonic anhydrase VI	KA	1.2	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase VI	KA	1.23	uM	10.1016/j.bmc.2010.01.059
Homo sapiens	Carbonic anhydrase VI	Kcat	10.3	10^5/s	10.1016/j.bmc.2007.03.004
Homo sapiens	Carbonic anhydrase VII	KA	10.0	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase VII	KA	10.93	uM	10.1016/j.bmcl.2007.05.052
Homo sapiens	Carbonic anhydrase VII	Kcat	14.6	10^5/s	10.1016/j.bmcl.2007.05.052
Homo sapiens	Carbonic anhydrase XII	KA	1.38	uM	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase XII	KA	1.4	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase XII	Kcat	12.4	10^5/s	10.1016/j.bmc.2008.02.021
Homo sapiens	Carbonic anhydrase XIII	KA	1.0	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase XIV	KA	0.24	uM	10.1016/j.bmcl.2007.05.052
Homo sapiens	Carbonic anhydrase XIV	KA	0.24	uM	10.1016/j.ejmech.2021.113875
Homo sapiens	Carbonic anhydrase XIV	Kcat	12.5	10^5/s	10.1016/j.bmcl.2007.05.052
Homo sapiens	Cholesterol 24-hydroxylase	Activity	90.0	%	None
Homo sapiens	Cyclooxygenase-1	AC50	27974.3	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	Potency	11220.2	nM	None
Homo sapiens	Eyes absent homolog 2	Inhibition	nan	%	None
Homo sapiens	Glucocorticoid receptor	Potency	15848.9	nM	None
Homo sapiens	HERG	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Homo sapiens	Activity	1.036	None	10.1021/jm00394a007
Homo sapiens	Homo sapiens	Activity	1.048	None	10.1021/jm00394a007
Homo sapiens	Homo sapiens	Activity	1.093	None	10.1021/jm00394a007
Homo sapiens	Homo sapiens	Activity	1.178	None	10.1021/jm00394a007
Homo sapiens	Homo sapiens	F	100.0	%	10.1021/jm901846t
Homo sapiens	Homo sapiens	T1/2	0.003333	hr	10.1021/jm00386a001
Homo sapiens	Homo sapiens	T1/2	29.0	hr	10.1021/jm00386a001
Homo sapiens	Inhibitor of apoptosis protein 3	IC50	80200.0	nM	10.1016/j.ejmech.2018.07.002
Homo sapiens	Intestinal alkaline phosphatase	IC50	5000.0	nM	10.1016/j.bmc.2009.12.012
Homo sapiens	Intestinal alkaline phosphatase	IC50	80200.0	nM	10.1016/j.ejmech.2017.11.068
Homo sapiens	Intestinal alkaline phosphatase	IC50	100000.0	nM	10.1016/j.ejmech.2018.09.063
Homo sapiens	L-type amino acid transporter 1	Activity	2.7	fmol/min	10.1016/j.bmcl.2019.06.033
Homo sapiens	L-type amino acid transporter 1	Activity	3.6	fmol/min	10.1016/j.bmcl.2016.04.023
Homo sapiens	L-type amino acid transporter 1	Activity	3.6	fmol/min	10.1016/j.bmcl.2016.09.001
Homo sapiens	L-type amino acid transporter 1	Activity	100.0	%	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	IC50	69000.0	nM	10.1016/j.bmcl.2019.06.033
Homo sapiens	L-type amino acid transporter 1	IC50	69000.0	nM	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	Inhibition	85.0	%	10.1016/j.bmcl.2016.04.023
Homo sapiens	L-type amino acid transporter 1	Inhibition	85.0	%	10.1016/j.bmcl.2016.09.001
Homo sapiens	L-type amino acid transporter 1	Inhibition	85.0	%	10.1016/j.bmcl.2019.06.033
Homo sapiens	L-type amino acid transporter 1	Inhibition	85.0	%	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	Km	11000.0	nM	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	Km	14200.0	nM	10.1021/acs.jmedchem.8b01007
Homo sapiens	Monoamine oxidase A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Mu opioid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	21689.9	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	54482.7	nM	None
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phospholipase A-2-activating protein	IC50	5000.0	nM	10.1016/j.bmc.2009.12.012
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Pyruvate kinase isozymes M1/M2	Inhibition	100.0	%	10.1021/acs.jmedchem.1c00981
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	SLC16A10 protein	Activity	60.0	%	10.1006/geno.2001.6678
Homo sapiens	SLC16A10 protein	Km	740500.0	nM	10.1006/geno.2001.6678
Homo sapiens	Taste receptor type 2 member 39	Inhibition	0.0	%	None
Homo sapiens	Thrombin	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thyroid hormone receptor beta-1	Potency	15.8	nM	None
Homo sapiens	Tyrosinase	IC50	nan	nM	10.1016/0960-894X(96)00221-1
Homo sapiens	Vascular endothelial growth factor receptor 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	6000.0	nM	10.1021/jm301407k
Methanobacterium thermoautotrophicum	Carbonic anhydrase	Ka	70.0	uM	10.1016/j.bmcl.2010.01.054
Methanosarcina thermophila	Carbonic anhydrase	KA	68.0	uM	10.1016/j.bmcl.2016.11.027
Mus musculus	Carbonic anhydrase 15	KA	33.4	uM	10.1016/j.bmcl.2009.05.026
Mus musculus	Carbonic anhydrase XIII	KA	1.02	uM	10.1016/j.bmcl.2006.05.023
Mus musculus	NIH3T3	Activity	nan	None	10.1021/jm301407k
Mus musculus	RAW264.7	Activity	80.0	%	10.1021/jm301407k
Mus musculus	RAW264.7	Activity	nan	None	10.1021/jm301407k
Mus musculus	RAW264.7	Inhibition	nan	%	10.1021/jm301407k
Mus musculus	Voltage-gated calcium channel alpha2/delta subunit 1	Ki	977.24	nM	10.1016/j.bmcl.2005.11.108
Mus musculus	Voltage-gated calcium channel alpha2/delta subunit 1	Ki	980.0	nM	10.1016/j.bmcl.2005.11.108
Oryza sativa	Oryza sativa	Activity	nan	None	10.1271/bbb.64.577
Photinus pyralis	Luciferin 4-monooxygenase	Potency	28695.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	2393.4	nM	None
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	25000.0	nM	10.1021/jm301407k
Rattus norvegicus	GABA receptor alpha-1 subunit	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	L-type amino acid transporter 1	Inhibition	nan	%	10.1016/j.bmcl.2010.04.086
Rattus norvegicus	L-type amino acid transporter 1	Ki	55000.0	nM	10.1016/j.bmcl.2010.04.086
Rattus norvegicus	Monocarboxylate transporter 10	Activity	40.0	%	10.1074/jbc.m009462200
Rattus norvegicus	Monocarboxylate transporter 10	Activity	50.0	%	10.1074/jbc.m009462200
Rattus norvegicus	Monocarboxylate transporter 10	Activity	nan	None	10.1074/jbc.m009462200
Rattus norvegicus	Monocarboxylate transporter 10	Km	7020000.0	nM	10.1074/jbc.m009462200
Rattus norvegicus	Monocarboxylate transporter 8	Activity	nan	None	10.1074/jbc.m300909200
Rattus norvegicus	Peripheral myelin protein 22	Potency	4547.9	nM	None
Rattus norvegicus	Rattus norvegicus	Permeability	3.57	None	10.1016/S0960-894X(00)80672-1
Saccharomyces cerevisiae	General amino-acid permease GAP1	Activity	nan	None	10.1038/nchembio.132
Saccharomyces cerevisiae S288c	Carbonic anhydrase	Ka	86.0	uM	10.1016/j.bmcl.2009.01.105
Saccharomyces cerevisiae S288c	Carbonic anhydrase	Ka	86.0	uM	10.1016/j.bmcl.2010.01.054
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
Sporothrix schenckii	Sporothrix schenckii	MIC	3000.0	nM	10.1021/jm301407k
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/jm301407k
Staphylococcus aureus	Staphylococcus aureus	MIC	6250.0	nM	10.1021/jm301407k
Staphylococcus aureus	Staphylococcus aureus	MIC	25000.0	nM	10.1021/jm301407k
Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	13200.0	nM	10.1021/jm301407k
Trichophyton mentagrophytes	Trichophyton mentagrophytes	MIC	3000.0	nM	10.1021/jm301407k
Trypanosoma cruzi (strain CL Brener)	Carbonic anhydrase-like protein, putative	KA	12.1	uM	10.1016/j.bmc.2018.07.011
None	ADMET	Activity	70.0	%	10.1021/jm301407k
None	ADMET	Activity	nan	None	10.1021/jm301407k
None	ADMET	Drug uptake	nan	None	10.1021/jm301407k
None	ADMET	permeability	3.36	10'-4 cm/s	10.1021/jm901846t
None	ADMET	Solubility	173200.0	ug.mL-1	10.1021/jm00374a006
None	ADMET	Solubility	245000.0	ug.mL-1	10.1021/jm00374a006
None	ADMET	Solubility ratio	1.036	None	10.1021/jm00374a006
None	ADMET	Solubility ratio	1.048	None	10.1021/jm00374a006
None	ADMET	Solubility ratio	1.093	None	10.1021/jm00374a006
None	ADMET	Solubility ratio	1.178	None	10.1021/jm00374a006
None	No relevant target	Activity	0.0025	umolequiv/umol	10.1039/C6MD00006A
None	No relevant target	Activity	nan	None	10.1021/jm301407k
None	No relevant target	Daq	9.8	10'-6cm2/s	10.1021/jm901846t
None	No relevant target	LogP	-1.38	None	10.1021/jm901846t
None	No relevant target	LogP	1.49	None	10.1021/jm00393a031
None	No relevant target	pKa	2.2	None	10.1007/s11095-013-1232-z
None	No relevant target	pKa	2.2	None	10.1021/jm901846t
None	No relevant target	pKa	9.08	None	10.1007/s11095-013-1232-z
None	No relevant target	Solubility	1.036	None	10.1021/jm00358a017
None	No relevant target	Solubility	1.048	None	10.1021/jm00358a017
None	No relevant target	Solubility	1.093	None	10.1021/jm00358a017
None	No relevant target	Solubility	1.178	None	10.1021/jm00358a017
None	Unchecked	Concentration	24.5	g dl-1	10.1021/jm00378a005
None	Unchecked	Control value	17.32	g dl-1	10.1021/jm00378a005
None	Unchecked	IC50	80210.0	nM	10.1016/j.bmcl.2020.127238
None	Unchecked	Ka	70.0	uM	10.1016/j.bmcl.2009.01.105
None	Unchecked	KA	0.008	uM	10.1016/j.bmcl.2012.08.088
None	Unchecked	KA	0.008	uM	10.1016/j.bmcl.2012.12.009
None	Unchecked	KA	0.062	uM	10.1016/j.bmcl.2012.12.009
None	Unchecked	KA	1.73	uM	10.1016/j.bmcl.2016.11.027
None	Unchecked	KA	9.16	uM	10.1016/j.bmc.2018.07.011
None	Unchecked	KA	34.0	uM	10.1016/j.bmc.2010.01.059
None	Unchecked	KA	34.1	uM	10.1016/j.bmcl.2016.01.078
None	Unchecked	KA	68.0	uM	10.1016/j.bmcl.2008.10.005
None	Unchecked	KA	70.0	uM	10.1016/j.bmcl.2008.10.005
None	Unchecked	Kcat	1.4	10'7/s	10.1016/j.bmcl.2012.08.088
None	Unchecked	Kcat	9.82	10'5/s	10.1016/j.bmcl.2016.11.027
None	Unchecked	Log 1/T	2.19	None	10.1021/jm00393a031
None	Unchecked	Potency	1000.0	nM	None
None	Unchecked	Ratio	1.036	None	10.1021/jm00378a005
None	Unchecked	Ratio	1.048	None	10.1021/jm00378a005
None	Unchecked	Ratio	1.093	None	10.1021/jm00378a005
None	Unchecked	Ratio	1.175	None	10.1021/jm00378a005
None	Unchecked	Ratio	1.178	None	10.1021/jm00378a005
None	Unchecked	Ratio IC50	2.0	None	10.1016/j.ejmech.2018.09.063

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000436	C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](O)C(C)CC.N[C@@H](Cc1ccccc1)C(=O)O>>C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](O)C(C)CC	RXN-16639
AKRT000451	C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](O)C(C)CC.C[SAH].N[C@@H](Cc1ccccc1)C(=O)O>>C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](O)C(C)CC	RXN-16640
AKRT000455	C(=O)[C@H]1CCCCN1.COn1cc(C[C@H](N)C(=O)O)c2ccccc21.N[C@@H](CCCCCC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C(=O)[C@H](CCCCCC(=O)O)NC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12	RXN-16675
AKRT000857	OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N[C@@H](Cc1ccccc1)C(=O)O>>OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1O	PHENYLALANINE--TRNA-LIGASE-RXN
AKRT001056	*[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR183423
AKRT002136	CC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](N)C(=O)O	2.6.1.58-RXN
AKRT002137	CC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT002138	CC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)C(=O)Cc1ccccc1	2.6.1.58-RXN
AKRT002549	CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_68083
AKRT002789	CC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>CC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT002790	CC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	54188
AKRT004594	CC(=O)[CoA].C[SAH].N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA]>>C/C=C/C=C/CCC[C@@H](C)C(=O)C1=C(O)C(Cc2ccccc2)NC1=O	RXN-23170
AKRT004705	CC(=O)[CoA].N[C@@H](Cc1ccccc1)C(=O)O>>CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	R00693
AKRT004839	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76472
AKRT005445	CC(C)CC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT005698	CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64697
AKRT005786	CC(C)C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT005787	CC(C)C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)CC(N)C(O)=NC(Cc1ccccc1)C(=O)O	MNXR133950
AKRT005788	CC(C)C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90806
AKRT005798	CC(C)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR191938
AKRT005936	CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64690
AKRT006007	CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65839
AKRT006015	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O>>CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT006136	CC(C)OC(=O)[C@@H](N)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_70478
AKRT006207	CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67645
AKRT006209	CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66866
AKRT006225	CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64876
AKRT006261	CC(C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	MNXR163249
AKRT006279	CC(C)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	MNXR159506
AKRT006290	CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR163255
AKRT006298	CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT006299	CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)C(N)C(O)=NC(Cc1ccccc1)C(=O)O	MNXR129842
AKRT006300	CC(C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90814
AKRT006375	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67637
AKRT006520	CC(N)C(=O)NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR133951
AKRT006687	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	64132
AKRT006781	CC/C=C\CC1C(=O)CCC1CC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC/C=C\CC1C(=O)CCC1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	RXN-10456
AKRT006794	CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76299
AKRT006806	CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	RXN-10438
AKRT007106	CCC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC[C@H](N)C(=O)O	66128
AKRT007107	CCC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT007108	CCC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)C(=O)Cc1ccccc1	66128
AKRT007357	CCCC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CCC[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT007582	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	51312
AKRT008190	CCCCCCCC/C=C\CCCCCCCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	51300
AKRT008557	CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76489
AKRT008915	CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	64124
AKRT009091	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	64128
AKRT009455	CCCCOC(=O)[C@@H](N)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_51128
AKRT009695	CCO.N[C@@H](Cc1ccccc1)C(=O)O>>CCOC(=O)[C@@H](N)Cc1ccccc1	MNXR131326
AKRT009723	CCOC(=O)[C@@H](N)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_51108
AKRT009823	CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67779
AKRT009890	CC[C@H](C)C(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC[C@H](C)[C@H](N)C(=O)O	MNXR189610
AKRT009891	CC[C@H](C)C(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)C(=O)Cc1ccccc1	MNXR189610
AKRT009935	CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64871
AKRT009936	CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67763
AKRT009982	CC[C@H](C)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CCC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CCCCN)C(=O)O	MNXR159497
AKRT009998	CC[C@H](C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT009999	CC[C@H](C)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90805
AKRT010074	CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67762
AKRT010076	CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65571
AKRT010084	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT010085	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66569
AKRT010116	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O>>CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT010117	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65840
AKRT010131	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67761
AKRT010134	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67298
AKRT010146	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT010148	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	26554
AKRT010431	CN(C)c1cccc2c(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cccc12>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67303
AKRT010467	CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)O)cc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67456
AKRT010469	CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67473
AKRT010479	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67473
AKRT010534	CN1CC(C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1>>CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21	MNXR176021
AKRT010860	CN[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_23387
AKRT011044	COC(=O)Cc1ccc(O)cc1.N[C@@H](Cc1ccccc1)C(=O)O>>O=C(Cc1ccc(O)cc1)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76086
AKRT011045	COC(=O)Cc1ccccc1.N[C@@H](Cc1ccccc1)C(=O)O>>O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76087
AKRT011078	COC(=O)[C@@H](N)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_52941
AKRT012094	CSCCC(N)C(O)=NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR129839
AKRT012221	CSCC[C@@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90905
AKRT012233	CSCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR103494
AKRT012310	CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>CSCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT012311	CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64872
AKRT012355	CSCC[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CSCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	MNXR159603
AKRT012368	CSCC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CSCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O	MNXR160638
AKRT012392	CSCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CSCC[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR159605
AKRT012398	CSCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT012399	CSCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90808
AKRT012415	CSCC[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	RXN-7708
AKRT012482	CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR129841
AKRT012491	CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	63564
AKRT012492	CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	63604
AKRT012502	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_68867
AKRT012566	CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_68019
AKRT012586	CSCC[C@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_68095
AKRT012892	C[C@@H](O)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@@H](O)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	MNXR162983
AKRT012907	C[C@@H](O)[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@@H](O)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)O	MNXR160670
AKRT012923	C[C@@H](O)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@@H](O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O	MNXR160660
AKRT012924	C[C@@H](O)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT012925	C[C@@H](O)[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90812
AKRT013002	C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1>>N[C@@H](Cc1ccccc1)C(=O)O	RXN-21094
AKRT013004	C[C@@H]1Cc2ccc(C(=O)O)c(O)c2C(=O)O1.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1	RXN-21100
AKRT013442	C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66865
AKRT013484	C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65020
AKRT013535	C[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR154706
AKRT013552	C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O	MNXR160652
AKRT013580	C[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR163127
AKRT013584	C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT013585	C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90864
AKRT013586	C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90799
AKRT013610	C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	R00692
AKRT013734	C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67652
AKRT013739	C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67390
AKRT013769	C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65569
AKRT013799	C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66222
AKRT013909	C[C@H](O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	66724
AKRT014687	C[SAH].N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccccc1C(=O)O>>CN1C(=O)c2ccccc2NC(=O)[C@@H]1Cc1ccccc1	RXN-13989
AKRT014906	Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc12>>Cc1cc(=O)oc2cc(N)ccc12.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT014907	Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc12>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64502
AKRT015323	Cc1ncc(COP(=O)(O)O)c(C=O)c1O.N[C@@H](Cc1ccccc1)C(=O)O>>Cc1ncc(COP(=O)(O)O)c(CN[C@@H](Cc2ccccc2)C(=O)O)c1O	enzymemap_22615
AKRT015359	Cc1ncc(COP(=O)(O)O)c(CN[C@@H](Cc2ccccc2)C(=O)O)c1O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_22589
AKRT015879	N=C(N)NCCCC(N)C(O)=NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR134034
AKRT015959	N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	63536
AKRT015965	N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_68867
AKRT016001	N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64752
AKRT016013	N=C(N)NCCC[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	MNXR154737
AKRT016056	N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N=C(N)NCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)O	MNXR158219
AKRT016059	N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT016060	N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT016061	N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1>>N=C(N)NCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)O	MNXR160663
AKRT016151	N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67767
AKRT016152	N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67792
AKRT016161	N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65357
AKRT016213	N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67960
AKRT016265	N=C(N)Nc1ccc(COC(=O)[C@@H](N)Cc2ccccc2)cc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_52937
AKRT016266	N=C(N)Nc1cccc(COC(=O)[C@@H](N)Cc2ccccc2)c1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_52942
AKRT016308	N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR129852
AKRT016800	NC(=O)CCC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)CC[C@H](N)C(=O)O	2.6.1.64-RXN
AKRT016801	NC(=O)CCC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)CC[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT016802	NC(=O)CCC(=O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)C(=O)Cc1ccccc1	2.6.1.64-RXN
AKRT016861	NC(=O)CC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NCCCC[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR159490
AKRT016872	NC(=O)CC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O	MNXR160674
AKRT016874	NC(=O)CC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)CC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR160643
AKRT016875	NC(=O)CC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT016876	NC(=O)CC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT016885	NC(=O)CC[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	2.6.1.64-RXN
AKRT016949	NC(=O)C[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)O	MNXR154769
AKRT016953	NC(=O)C[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS)C(=O)O	MNXR154771
AKRT016956	NC(=O)C[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)C[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR154778
AKRT016957	NC(=O)C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O	MNXR160658
AKRT016958	NC(=O)C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NC(=O)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT016993	NC(=O)Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc12>>NC(=O)Cc1cc(=O)oc2cc(N)ccc12.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT017000	NC(=O)Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)Cc3ccccc3)ccc12>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66200
AKRT017035	NC(=O)NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_78010
AKRT017118	NC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_77683
AKRT017198	NC(=O)[C@@H](N)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64904
AKRT017356	NC(CC(=O)O)c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	retrobiocat_886
AKRT017425	NC(Cc1ccc(O)cc1)C(O)=NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR129850
AKRT017437	NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR146003
AKRT017559	NCC(=O)NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(Cc1ccccc1)C(O)=NCC(O)=NCC(=O)O	MNXR129980
AKRT017599	NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64745
AKRT017638	NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NCCCC[C@H](NC(=O)CN)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR157876
AKRT017660	NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT017661	NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NC(Cc1ccccc1)C(O)=NCC(=O)O	MNXR129843
AKRT017662	NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NCC(=O)NC(Cc1ccccc1)C(=O)O	MNXR152180
AKRT017663	NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O	enzymemap_90803
AKRT017690	NCC(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_42558
AKRT017808	NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66443
AKRT018072	NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT018073	NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65096
AKRT018088	NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CO)C(=O)O	MNXR162659
AKRT018095	NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O	MNXR160676
AKRT018099	NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT018100	NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1>>NCCCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O	MNXR160654
AKRT018101	NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>NCCCCC(N)C(O)=NC(Cc1ccccc1)C(=O)O	MNXR133980
AKRT018155	NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65465
AKRT018622	N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O	None
AKRT018623	N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_68257
AKRT018651	N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	RXN-21570
AKRT018668	N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	MNXR155427
AKRT018672	N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O	MNXR160640
AKRT018692	N[C@@H](CC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	2.6.1.70-RXN
AKRT018726	N[C@@H](CC(=O)O)c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	RXN-13649
AKRT018752	N[C@@H](CC1(C(=O)O)C=CC(O)C=C1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	CARBOXYCYCLOHEXADIENYL-DEHYDRATASE-RXN
AKRT018990	N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_32808
AKRT019015	N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O	enzymemap_32799
AKRT019016	N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.Nc1ccc([N+](=O)[O-])cc1	None
AKRT019048	N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64875
AKRT019171	N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	RXN-10814
AKRT019445	N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66327
AKRT019461	N[C@@H](CO)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	MNXR160666
AKRT019466	N[C@@H](CO)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT019467	N[C@@H](CO)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O	enzymemap_90811
AKRT019468	N[C@@H](CO)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1CO	RXN-15678
AKRT019605	N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT019606	N[C@@H](CS)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O	enzymemap_90911
AKRT019731	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65108
AKRT019748	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	MNXR163151
AKRT019750	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT019751	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	MNXR163083
AKRT019752	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccccc1	R12413
AKRT019762	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	2.6.1.28-RXN
AKRT019822	N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT019823	N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT019907	N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66766
AKRT019919	N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65116
AKRT019928	N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O	MNXR163147
AKRT019930	N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT019931	N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	MNXR160678
AKRT019977	N[C@@H](Cc1ccc(O)cc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_41930
AKRT020004	N[C@@H](Cc1cccc(C(=O)C=Cc2ccco2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67714
AKRT020011	N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66223
AKRT020012	N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66186
AKRT020013	N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66250
AKRT020014	N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1	None
AKRT020017	N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64980
AKRT020019	N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64741
AKRT020021	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65112
AKRT020023	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65119
AKRT020026	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66671
AKRT020027	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64873
AKRT020028	N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)O)cc1>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR131942
AKRT020029	N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64723
AKRT020030	N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1	None
AKRT020031	N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64879
AKRT020032	N[C@@H](Cc1ccccc1)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90776
AKRT020033	N[C@@H](Cc1ccccc1)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O>>N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90800
AKRT020034	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)CC[C@H](N)C(=O)O>>NC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90771
AKRT020035	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)CC[C@H](N)C(=O)O>>NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90802
AKRT020036	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)C[C@H](N)C(=O)O>>NC(=O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90897
AKRT020037	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)C[C@H](N)C(=O)O>>NC(=O)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90801
AKRT020038	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)Cc1ccc(O)cc1>>O=C(Cc1ccc(O)cc1)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76084
AKRT020039	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)Cc1ccccc1>>O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76089
AKRT020040	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)[C@@H](N)c1ccccc1>>N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1	enzymemap_76082
AKRT020041	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)[C@@H](O)c1ccccc1>>O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccccc1	enzymemap_76083
AKRT020042	N[C@@H](Cc1ccccc1)C(=O)O.NCCCC[C@H](N)C(=O)O>>NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90926
AKRT020043	N[C@@H](Cc1ccccc1)C(=O)O.NCCCC[C@H](N)C(=O)O>>NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	enzymemap_90807
AKRT020044	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90936
AKRT020045	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	enzymemap_90813
AKRT020046	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90944
AKRT020047	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O	enzymemap_90804
AKRT020048	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O>>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90853
AKRT020049	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT020050	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90809
AKRT020051	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	MNXR133728
AKRT020052	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT020053	N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT020054	N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@@H]1CCCN1>>N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT020055	N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT020056	N[C@@H](Cc1ccccc1)C(=O)O.O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1.O=C(O)c1ccccc1>>O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1	61908
AKRT020057	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)C(c1ccccc1)c1ccccc1>>N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1	enzymemap_42529
AKRT020058	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)CC1C=CC(O)CC1>>NC(CC1C=CC(O)CC1)C(=O)O	33131
AKRT020059	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)CC1C=CC(O)CC1>>O=C(O)C(=O)Cc1ccccc1	33131
AKRT020060	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12>>N[C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C(=O)O	RXN-16297
AKRT020061	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12>>O=C(O)C(=O)Cc1ccccc1	RXN-16297
AKRT020062	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)Cc1c[nH]c2ccccc12>>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT020063	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)Cc1ccc(O)c(O)c1>>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	MNXR144362
AKRT020064	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)Cc1ccc(O)c(O)c1>>O=C(O)C(=O)Cc1ccccc1	MNXR144362
AKRT020065	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)Cc1ccc(O)cc1>>N[C@@H](Cc1ccc(O)cc1)C(=O)O	RXN-15200
AKRT020066	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)Cc1ccc(O)cc1>>N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT020067	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(=O)Cc1ccc(O)cc1>>O=C(O)C(=O)Cc1ccccc1	RXN-15200
AKRT020068	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CC(=O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O	2.6.1.70-RXN
AKRT020069	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CC(=O)C(=O)O>>O=C(O)C(=O)Cc1ccccc1	2.6.1.70-RXN
AKRT020070	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O	R00694
AKRT020071	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT020072	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>O=C(O)C(=O)Cc1ccccc1	R00694
AKRT020073	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCCC(=O)C(=O)O>>N[C@@H](CCCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT020074	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)Cc1c[nH]c2ccccc12>>O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)O	RXN-9084
AKRT020075	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1>>NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O	MNXR130374
AKRT020076	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1>>N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O	enzymemap_90810
AKRT020077	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1>>O=C(O)C(Cc1ccccc1)N=C(O)C1CCCN1	MNXR129854
AKRT020078	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1>>O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1	MNXR162351
AKRT020079	N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)c1ccccc1>>O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1	59476
AKRT020080	N[C@@H](Cc1ccccc1)C(=O)O.O=CC(=O)O>>NCC(=O)O.O=C(O)C(=O)Cc1ccccc1	None
AKRT020081	N[C@@H](Cc1ccccc1)C(=O)O.O=CC(=O)O>>O=C(O)C(=O)Cc1ccccc1	enzymemap_41634
AKRT020082	N[C@@H](Cc1ccccc1)C(=O)O.c1cnc2c(n1)CNCN2>>C1=NCNc2nccnc21.N[C@@H](Cc1ccc(O)cc1)C(=O)O	None
AKRT020083	N[C@@H](Cc1ccccc1)C(=O)O>>*C(=O)[C@@H](N)Cc1ccccc1	RXN-21099
AKRT020084	N[C@@H](Cc1ccccc1)C(=O)O>>*C(=O)[C@H](N)Cc1ccccc1	RXN-9676
AKRT020085	N[C@@H](Cc1ccccc1)C(=O)O>>C[C@H](N)C(=O)O	enzymemap_41558
AKRT020086	N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)Cc1ccccc1	R00690
AKRT020087	N[C@@H](Cc1ccccc1)C(=O)O>>NC(=O)Cc1ccccc1.O=C=O	None
AKRT020088	N[C@@H](Cc1ccccc1)C(=O)O>>NCC(=O)O	enzymemap_41634
AKRT020089	N[C@@H](Cc1ccccc1)C(=O)O>>NCCc1ccccc1	PHENYLALANINE-DECARBOXYLASE-RXN
AKRT020090	N[C@@H](Cc1ccccc1)C(=O)O>>NCCc1ccccc1.O=C=O	None
AKRT020091	N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](CC(=O)O)c1ccccc1	RXN-13649
AKRT020092	N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccc(O)cc1)C(=O)O	RXN-13907
AKRT020093	N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1cccc(O)c1)C(=O)O	RXN-13555
AKRT020094	N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](CC(=O)O)c1ccccc1	RXN-13484
AKRT020095	N[C@@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1ccccc1)C(=O)O	59804
AKRT020096	N[C@@H](Cc1ccccc1)C(=O)O>>O/N=C/Cc1ccccc1	R09578
AKRT020097	N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)/C=C/c1ccccc1	PHENYLALANINE-AMMONIA-LYASE-RXN
AKRT020098	N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)C(=O)Cc1ccccc1	R00688
AKRT020099	N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)C(CO)c1ccccc1	R06744
AKRT020100	N[C@@H](Cc1ccccc1)C(=O)O>>O=C(O)[C@H](Cc1ccccc1)NO	RXN-12066
AKRT020101	N[C@@H](Cc1ccccc1)C(=O)O>>O=C=O	PHENYLALANINE-DECARBOXYLASE-RXN
AKRT020102	N[C@@H](Cc1ccccc1)C(=O)O>>O=C=O.O=CCc1ccccc1	None
AKRT020103	N[C@@H](Cc1ccccc1)C(=O)O>>O=CCc1ccccc1	RXN-8990
AKRT020104	N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_51125
AKRT020105	N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_51124
AKRT020106	N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_52939
AKRT020108	N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_66989
AKRT020115	N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_65150
AKRT020127	N[C@@H](Cc1cnc[nH]1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O	enzymemap_90804
AKRT020128	N[C@@H](Cc1cnc[nH]1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_90944
AKRT020221	N[C@H](CC(=O)O)c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_88184
AKRT020370	N[C@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	R00686
AKRT020713	Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	66092
AKRT020741	Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67919
AKRT020814	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OC(=O)[C@@H](N)Cc3ccccc3)C2(F)F)c(=O)n1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_51117
AKRT020835	Nc1ccn([C@@H]2O[C@H](COC(=O)[C@@H](N)Cc3ccccc3)[C@@H](O)C2(F)F)c(=O)n1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_51126
AKRT022292	O/N=C\Cc1ccccc1.O=C=O>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR179459
AKRT022297	O=C(/C=C/c1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67513
AKRT022333	O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67392
AKRT022335	O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67363
AKRT022378	O=C(CCl)NC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76437
AKRT022380	O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76465
AKRT022384	O=C(CF)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76611
AKRT022392	O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67409
AKRT022395	O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67439
AKRT022401	O=C(CNC(=O)c1ccccc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67488
AKRT022402	O=C(CNC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67417
AKRT022403	O=C(CNC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CNC(=O)c1ccccc1	None
AKRT022453	O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76149
AKRT022473	O=C(NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_69232
AKRT022490	O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67374
AKRT022498	O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67397
AKRT022500	O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76469
AKRT022501	O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76461
AKRT022505	O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67405
AKRT022564	O=C(O)/C=C/c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_85509
AKRT022610	O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	R00688
AKRT022776	O=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_78234
AKRT022807	O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67358
AKRT023086	O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_64975
AKRT023088	O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67292
AKRT023089	O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1	None
AKRT023090	O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_67300
AKRT023555	O=C1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)N1>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_68226
AKRT023646	O=C=O.O=CNCc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O	MNXR176819
AKRT023711	O=CNC(Cc1ccccc1)C(=O)O>>N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76618