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Target
Interstitial collagenase
Ligand
BDBM50071247
Substrate
n/a
Meas. Tech.
ChEBML_101901
IC50
117±n/a nM
Citation
 Natchus, MG; Cheng, M; Wahl, CT; Pikul, S; Almstead, NG; Bradley, RS; Taiwo, YO; Mieling, GE; Dunaway, CM; Snider, CE; McIver, JM; Barnett, BL; McPhail, SJ; Anastasio, MB; De, B Design and synthesis of conformationally-constrained MMP inhibitors. Bioorg Med Chem Lett 8:2077-80 (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:
BDBM50071247
Synonyms:
(R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-oxo-1-(2-phenoxy-ethyl)-azepan-3-yl]-succinamide | CHEMBL64912
Type:
Small organic molecule
Emp. Form.:
C22H33N3O5
Mol. Mass.:
419.5145
SMILES:
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCOc2ccccc2)C1=O
Structure:
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