Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50070254
Substrate
n/a
Meas. Tech.
ChEBML_105966
IC50
11±n/a nM
Citation
 Levin, JI; DiJoseph, JF; Killar, LM; Sharr, MA; Skotnicki, JS; Patel, DV; Xiao, XY; Shi, L; Navre, M; Campbell, DA The asymmetric synthesis and in vitro characterization of succinyl mercaptoalcohol and mercaptoketone inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett 8:1163-8 (1999) [PubMed]  Article 
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:
BDBM50070254
Synonyms:
(R)-2-Isobutyl-5-mercapto-4-oxo-pentanoic acid ((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-amide | CHEMBL16933
Type:
Small organic molecule
Emp. Form.:
C16H30N2O3S
Mol. Mass.:
330.486
SMILES:
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)CS)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: