Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50429816
Substrate
n/a
Meas. Tech.
ChEMBL_948654 (CHEMBL2345604)
IC50
2900±n/a nM
Citation
 Nuti, E; Santamaria, S; Casalini, F; Yamamoto, K; Marinelli, L; La Pietra, V; Novellino, E; Orlandini, E; Nencetti, S; Marini, AM; Salerno, S; Taliani, S; Da Settimo, F; Nagase, H; Rossello, A Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation. Eur J Med Chem 62:379-94 (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:
BDBM50429816
Synonyms:
CHEMBL2337697
Type:
Small organic molecule
Emp. Form.:
C13H13N3O5S
Mol. Mass.:
323.324
SMILES:
ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1
Structure:
Search PDB for entries with ligand similarity: