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Target
Interstitial collagenase
Ligand
BDBM50071254
Substrate
n/a
Meas. Tech.
ChEBML_101901
IC50
83±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:
BDBM50071254
Synonyms:
(2R,3R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(2-methoxy-ethyl)-2-oxo-azepan-3-yl]-3-propyl-succinamide | CHEMBL302489
Type:
Small organic molecule
Emp. Form.:
C20H37N3O5
Mol. Mass.:
399.5249
SMILES:
CCC[C@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(CCOC)C1=O)C(=O)NO
Structure:
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