Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50064340
Substrate
n/a
Meas. Tech.
ChEMBL_106447 (CHEMBL717318)
Ki
0.87±n/a nM
Citation
 Xue, CB; He, X; Roderick, J; DeGrado, WF; Cherney, RJ; Hardman, KD; Nelson, DJ; Copeland, RA; Jaffee, BD; Decicco, CP Design and synthesis of cyclic inhibitors of matrix metalloproteinases and TNF-alpha production. J Med Chem 41:1745-8 (1998) [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:
BDBM50064340
Synonyms:
(2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide | (2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide | BB-16 | CHEMBL417537 | N*4*-Hydroxy-2-isobutyl-N*1*-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide
Type:
Small organic molecule
Emp. Form.:
C20H31N3O5
Mol. Mass.:
393.4772
SMILES:
CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: