Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50171860
Substrate
n/a
Meas. Tech.
ChEBML_106148
Ki
4.6±n/a nM
Citation
 Sawa, M; Kurokawa, K; Inoue, Y; Kondo, H; Yoshino, K Discovery of selective phosphonamide-based inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett 13:2021-4 (2003) [PubMed]  Article 
Target
Name:
Interstitial collagenase
Synonyms:
Fibroblast collagenase | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1) | MMP1_HUMAN | MMP1 | CLG
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Human
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM50171860
Synonyms:
((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-phenyl)-phosphinic acid ethyl ester | CHEMBL363424
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: