Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50137279
Substrate
n/a
Meas. Tech.
ChEMBL_944092 (CHEMBL2341925)
IC50
0.041000±n/a nM
Citation
 Jain, P; Saravanan, C; Singh, SK Sulphonamides: Deserving class as MMP inhibitors? Eur J Med Chem 60:89-100 (2013) [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:
BDBM50137279
Synonyms:
6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydroxyamide | CHEMBL147489 | N,6-dihydroxy-2-(4-nitrophenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C16H15N3O7S
Mol. Mass.:
393.371
SMILES:
ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: