Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50128606
Substrate
n/a
Meas. Tech.
ChEMBL_106287 (CHEMBL714636)
IC50
583±n/a nM
Citation
 Aranapakam, V; Grosu, GT; Davis, JM; Hu, B; Ellingboe, J; Baker, JL; Skotnicki, JS; Zask, A; DiJoseph, JF; Sung, A; Sharr, MA; Killar, LM; Walter, T; Jin, G; Cowling, R Synthesis and structure-activity relationship of alpha-sulfonylhydroxamic acids as novel, orally active matrix metalloproteinase inhibitors for the treatment of osteoarthritis. J Med Chem 46:2361-75 (2003) [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:
BDBM50128606
Synonyms:
CHEMBL307252 | N-Hydroxy-2-(4-methoxy-benzenesulfonyl)-3-naphthalen-2-yl-propionamide | N-hydroxy-2-(4-methoxyphenylsulfonyl)-3-(naphthalen-2-yl)propanamide
Type:
Small organic molecule
Emp. Form.:
C20H19NO5S
Mol. Mass.:
385.434
SMILES:
COc1ccc(cc1)S(=O)(=O)C(Cc1ccc2ccccc2c1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: