Molecule

2-amino-5-(N',N'-dimethylcarbamimidamido)pentanoic acid

AlkaPlorer ID: AK005130

Synonym: None

IUPAC Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid

Structure

SMILES: CN(C)C(=N)NCCC[C@H](N)C(=O)O

InChI: InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1

InChIKey: YDGMGEXADBMOMJ-LURJTMIESA-N

Reference

PubChem CID: 123831

CAS: 102783-24-4

LOTUS: LTS0118428

NPASS: NPC133183

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daucus carota	Daucus	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hordeum vulgare	Hordeum	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Avena sativa	Avena	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Amelanchier alnifolia	Amelanchier	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capsicum annuum	Capsicum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brassica rapa	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prunus tomentosa	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rubus idaeus	Rubus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Beta vulgaris	Beta	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Cucurbita maxima	Cucurbita	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phaseolus vulgaris	Phaseolus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pastinaca sativa	Pastinaca	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cucurbita pepo	Cucurbita	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Spinacia oleracea	Spinacia	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum tuberosum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum melongena	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cucumis sativus	Cucumis	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anethum graveolens	Anethum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium cepa	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brassica oleracea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lactuca sativa	Lactuca	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Secale cereale	Secale	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 202.258

TPSA？: 102.44

MolLogP？: -0.7355299999999991

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Kcat	6.1	/min	10.1074/jbc.m707231200
Bos taurus	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Kcat/Km	8.0	/mM/min	10.1074/jbc.m707231200
Bos taurus	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Km	810000.0	nM	10.1074/jbc.m707231200
Homo sapiens	Cerebroside-sulfatase	Potency	213.3	nM	None
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Potency	10000.0	nM	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	Flap endonuclease 1	Potency	4228.4	nM	None
Homo sapiens	HEK293	Potency	29081.0	nM	None
Homo sapiens	Histone deacetylase 6	Inhibition	-0.88	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	23.24	%	10.6019/CHEMBL4808148
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	1258.9	nM	None
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Kcat	0.93	/min	10.1074/jbc.m707231200
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Kcat	1.66	/min	10.1074/jbc.m707231200
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Kcat	nan	None	10.1074/jbc.m707231200
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Kcat/Km	2.7	/mM/min	10.1074/jbc.m707231200
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Kcat/Km	9.8	/mM/min	10.1074/jbc.m707231200
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Km	170000.0	nM	10.1074/jbc.m707231200
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Km	350000.0	nM	10.1074/jbc.m707231200
Homo sapiens	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	Km	nan	None	10.1074/jbc.m707231200
Homo sapiens	Nuclear factor NF-kappa-B p105 subunit	Potency	28183.8	nM	None
Homo sapiens	Thyroid stimulating hormone receptor	Potency	3981.1	nM	None
Rattus norvegicus	Dimethylarginine dimethylaminohydrolase 1	Kcat	9.2	/min	10.1074/jbc.m707231200
Rattus norvegicus	Dimethylarginine dimethylaminohydrolase 1	Kcat/Km	51.0	/mM/min	10.1074/jbc.m707231200
Rattus norvegicus	Dimethylarginine dimethylaminohydrolase 1	Km	180000.0	nM	10.1074/jbc.m707231200
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	1122.0	nM	None
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	11.4	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	33.19	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.14	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.02	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	9.53	%	10.21203/rs.3.rs-23951/v1
None	Unchecked	Kcat	76.0	/min	10.1074/jbc.m707231200
None	Unchecked	Kcat/Km	2000.0	/mM/min	10.1074/jbc.m707231200
None	Unchecked	Km	39000.0	nM	10.1074/jbc.m707231200

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002035	CC(=O)C(=O)O.CN(C)C(=N)NCCC[C@H](N)C(=O)O>>CN(C)C(=N)NCCCC(=O)C(=O)O	enzymemap_42311
AKRT010354	CN(C)C(=N)NCCC[C@H](N)C(=O)O>>CNC	enzymemap_78953
AKRT010355	CN(C)C(=N)NCCC[C@H](N)C(=O)O>>CNC.NC(=O)NCCC[C@H](N)C(=O)O	None
AKRT010356	CN(C)C(=N)NCCC[C@H](N)C(=O)O>>C[C@H](N)C(=O)O	enzymemap_42311
AKRT010357	CN(C)C(=N)NCCC[C@H](N)C(=O)O>>NC(=O)NCCC[C@H](N)C(=O)O	DIMETHYLARGININASE-RXN