Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50069612
Substrate
n/a
Meas. Tech.
ChEBML_70456
IC50
21±n/a nM
Citation
 Bailey, S; Bolognese, B; Buckle, DR; Faller, A; Jackson, S; Louis-Flamberg, P; McCord, M; Mayer, RJ; Marshall, LA; Smith, DG Selective inhibition of low affinity IgE receptor (CD23) processing. Bioorg Med Chem Lett 8:29-34 (1999) [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:
BDBM50069612
Synonyms:
2-[(2S,3R)-2-Hydroxycarbamoyl-5-methyl-3-((S)-1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-hexylsulfanyl]-benzoic acid methyl ester | CHEMBL320798
Type:
Small organic molecule
Emp. Form.:
C27H35N3O6S
Mol. Mass.:
529.648
SMILES:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccccc1C(=O)OC)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: