Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50031778
Substrate
n/a
Meas. Tech.
ChEBML_101897
Ki
1450±n/a nM
Citation
 Tomczuk, BE; Gowravaram, MR; Johnson, JS; Delecki, D; Cook, ER; Ghose, AK; Mathiowetz, AM; Spurlino, JC; Rubin, B; Smith, DL; Pulvino, T; Wahl, RC Hydroxamate inhibitors of the matrix metallo-proteinases (MMPs) containing novel P1′ heteroatom based modifications Bioorg Med Chem Lett 5:343-348 (1995)    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:
BDBM50031778
Synonyms:
(R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl)succinamide | (R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-succinamide | CHEMBL87229
Type:
Small organic molecule
Emp. Form.:
C25H33N3O5
Mol. Mass.:
455.5466
SMILES:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Structure:
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