Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50161327
Substrate
n/a
Meas. Tech.
ChEMBL_305732 (CHEMBL829404)
IC50
3000±n/a nM
Citation
 Rossello, A; Nuti, E; Carelli, P; Orlandini, E; Macchia, M; Nencetti, S; Zandomeneghi, M; Balzano, F; Uccello Barretta, G; Albini, A; Benelli, R; Cercignani, G; Murphy, G; Balsamo, A N-i-Propoxy-N-biphenylsulfonylaminobutylhydroxamic acids as potent and selective inhibitors of MMP-2 and MT1-MMP. Bioorg Med Chem Lett 15:1321-6 (2005) [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:
BDBM50161327
Synonyms:
CHEMBL362651 | {(R)-3-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-3-hydroxycarbamoyl-propyl}-carbamic acid benzyl ester | {(S)-4-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-4-hydroxycarbamoyl-butyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C27H31N3O7S
Mol. Mass.:
541.616
SMILES:
CC(C)ON([C@H](CCNC(=O)OCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: