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name Structure Reference Source Properties Activities Metabolism

Glycyl Proline

AlkaPlorer ID: AK010493

Synonym: None

IUPAC Name: (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid

Structure

SMILES: NCC(=O)N1CCC[C@H]1C(=O)O

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InChI: InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1

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InChIKey: KZNQNBZMBZJQJO-YFKPBYRVSA-N

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Reference

PubChem CID: 6993386

CAS: 704-15-4

SuperNatural Ⅲ: SN0199605-01

NPASS: NPC287693

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 172.184

TPSA？: 83.63000000000001

MolLogP？: -0.9792999999999998

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Angiotensin-converting enzyme IC50 446683.59 nM 10.1021/jm00014a022
Homo sapiens Angiotensin-converting enzyme IC50 446683.59 nM 10.1021/jm00068a017
Homo sapiens Angiotensin-converting enzyme logIC50 2.56 None 10.1016/j.ejmech.2014.07.015
Homo sapiens Oligopeptide transporter small intestine isoform Activity 7.0 % 10.1074/jbc.270.12.6456
Homo sapiens Oligopeptide transporter small intestine isoform Activity nan None 10.1038/nrd3028
Homo sapiens Oligopeptide transporter small intestine isoform EC50 130000.0 nM 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform IC50 330000.0 nM 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform Inhibition 78.0 % 10.1172/jci4179
Homo sapiens Oligopeptide transporter small intestine isoform Ki 300000.0 nM 10.1021/jm030976x
Homo sapiens Oligopeptide transporter small intestine isoform Ki 300000.0 nM 10.1021/jm048982w
Homo sapiens Oligopeptide transporter small intestine isoform max activation 111.0 % 10.1021/jm0511029
Homo sapiens Oligopeptide transporter small intestine isoform Ratio 870.0 None 10.1021/jm0511029
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition -8.4 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 9.6 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 24.1 % 10.1021/jm300212s
Rattus norvegicus Oligopeptide transporter, kidney isoform Activity nan None 10.1152/ajpcell.1998.275.4.c967
Saccharomyces cerevisiae General amino-acid permease GAP1 Inhibition 15.0 % 10.1038/nchembio.132
None ADMET logPapp -5.21 None 10.1124/dmd.111.041665
None No relevant target LogD -3.32 None 10.1124/dmd.111.041665
None Unchecked Log 1/T 1.35 None 10.1021/jm00014a022
None Unchecked Log 1/T 1.35 None 10.1021/jm00393a031

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004045 CC(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)[C@@H]3CCCN3C(=O)CN)ccc1C21OC(=O)c2ccccc21>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67065
AKRT005869 CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_72248
AKRT005970 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_70463
AKRT010078 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_72390
AKRT011584 COc1cc(NC(=O)C2CCCN2C(=O)CN)cc2ccccc12>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66878
AKRT011587 COc1cc(NC(=O)[C@@H]2CCCN2C(=O)CN)cc2ccccc12>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66971
AKRT013546 C[C@H](N)C(=O)O.NCC(=O)N1CCC[C@H]1C(=O)O>>CC(N=C(O)C1CCCN1C(=O)CN)C(=O)O MNXR130208
AKRT013784 C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66754
AKRT014912 Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CN)ccc12>>Cc1cc(=O)oc2cc(N)ccc12.NCC(=O)N1CCC[C@H]1C(=O)O None
AKRT014913 Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CN)ccc12>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66750
AKRT016164 N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC[C@H]1C(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66762
AKRT016166 N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66963
AKRT017498 NCC(=O)N1CCCC1C(=O)NCC(N)=O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66996
AKRT017503 NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66744
AKRT017507 NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)c(O)c(Br)c1>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66984
AKRT017508 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66345
AKRT017509 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>NCC(=O)N1CCC[C@H]1C(=O)O.Nc1ccc([N+](=O)[O-])cc1 None
AKRT017512 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_66576
AKRT017516 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)CCCCBr)ccc1C21OC(=O)c2ccccc21>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67068
AKRT017517 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)CCCCCN3C(=O)C=CC3=O)ccc1C2c1ccccc1C(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67071
AKRT017518 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)CCCCCl)ccc1C21OC(=O)c2ccccc21>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67039
AKRT017519 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)CCCCl)ccc1C21OC(=O)c2ccccc21>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67067
AKRT017520 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)CCCN3C(=O)C=CC3=O)ccc1C21OC(=O)c2ccccc21>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67070
AKRT017521 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)CCl)ccc1C21OC(=O)c2ccccc21>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67066
AKRT017522 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)c3ccc(CCl)cc3)ccc1C21OC(=O)c2ccccc21>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_67069
AKRT017523 NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1>>NCC(=O)N1CCC[C@H]1C(=O)O MNXR131754
AKRT017525 NCC(=O)N1CCC[C@H]1C(=O)O>>NCC(=O)O enzymemap_66248
AKRT017526 NCC(=O)N1CCC[C@H]1C(=O)O>>NCC(=O)O.O=C(O)[C@@H]1CCCN1 None
AKRT017527 NCC(=O)N1CCC[C@H]1C(=O)O>>O=C(O)[C@@H]1CCCN1 RXN0-6988
AKRT017528 NCC(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_69306
AKRT017529 NCC(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1>>NCC(=O)N1CCC[C@H]1C(=O)O.O=[N+]([O-])c1ccc(O)cc1 None
AKRT017702 NCC(=O)O.O=C(O)[C@@H]1CCCN1>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_90769
AKRT022475 O=C(NCC(=O)N1CCC[C@H]1C(=O)O)[C@@H]1CCCN1>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_64977
AKRT022771 O=C(O)CCCC(=O)NCC(=O)N1CCC[C@H]1C(=O)O>>NCC(=O)N1CCC[C@H]1C(=O)O enzymemap_78232