Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50069215
Substrate
n/a
Meas. Tech.
ChEBML_101751
Ki
198±n/a nM
Citation
Jacobson, IC; Reddy, PG; Wasserman, ZR; Hardman, KD; Covington, MB; Arner, EC; Copeland, RA; Decicco, CP; Magolda, RL Structure-based design and synthesis of a series of hydroxamic acids with a quaternary-hydroxy group in P1 as inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett 8:837-42 (1999) [PubMed] 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:
BDBM50069215
Synonyms:
(S)-2-[(R)-2-((R)-1-Hydroxy-1-hydroxycarbamoyl-ethyl)-5-phenyl-pentanoylamino]-3-phenyl-propionic acid tert-butyl ester | CHEMBL169996
Type:
Small organic molecule
Emp. Form.:
C27H36N2O6
Mol. Mass.:
484.5845
SMILES:
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO