Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50057090
Substrate
n/a
Meas. Tech.
ChEBML_101752
Ki
5900±n/a nM
Citation
Sahoo, SP; Caldwell, CG; Chapman, KT; Durette, PL; Esser, CK; Kopka, IE; Polo, SA; Sperow, KM; Niedzwiecki, LM; Izquierdo-Martin, M; Chang, BC; Harrison, RK; Stein, RL; MacCoss, M; Hagmann, WK Inhibition of matrix metalloproteinases by N-carboxyalkyl dipeptides: Enhanced potency and selectivity with substituted P1′ homophenylalanines Bioorg Med Chem Lett 5:2441-2446 (1995) Article
More Info.:
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
Inhibitor
Name:
BDBM50057090
Synonyms:
(R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pentan-2-ylamino)-1-oxo-4-(4-propylphenyl)butan-2-ylamino)propanoic acid | (R)-2-[(S)-1-((S)-3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-(4-propyl-phenyl)-propylamino]-propionic acid | (R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-(4-propyl-phenyl)-propylamino]-propionic acid | CHEMBL8474
Type:
Small organic molecule
Emp. Form.:
C28H39N3O4
Mol. Mass.:
481.627
SMILES:
CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1