Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50287620
Substrate
n/a
Meas. Tech.
ChEBML_101740
IC50
63±n/a nM
Citation
 Foley, MA; Hassman, AS; Drewry, DH; Greer, DG; Wagner, CD; Feldman, PL; Berman, J; Bickett, DM; McGeehan, GM; Lambert, MH; Green, M Rapid synthesis of novel dipeptide inhibitors of human collagenase and gelatinase using solid phase chemistry Bioorg Med Chem Lett 6:1905-1910 (1996)    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:
BDBM50287620
Synonyms:
(S)-2-[(R)-3-Mercapto-2-(2,2,2-trifluoro-acetylamino)-propionylamino]-3-phenyl-propionic acid methyl ester | CHEMBL58546
Type:
Small organic molecule
Emp. Form.:
C15H17F3N2O4S
Mol. Mass.:
378.367
SMILES:
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: