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Target
Interstitial collagenase
Ligand
BDBM50071259
Substrate
n/a
Meas. Tech.
ChEBML_101734
IC50
6.6±n/a nM
Citation
 Steinman, DH; Curtin, ML; Garland, RB; Davidsen, SK; Heyman, HR; Holms, JH; Albert, DH; Magoc, TJ; Nagy, IB; Marcotte, PA; Li, J; Morgan, DW; Hutchins, C; Summers, JB The design, synthesis, and structure-activity relationships of a series of macrocyclic MMP inhibitors. Bioorg Med Chem Lett 8:2087-92 (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:
BDBM50071259
Synonyms:
(7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7,11-dicarboxylic acid 11-[(2-dimethylamino-ethyl)-amide] 7-hydroxyamide | CHEMBL303298
Type:
Small organic molecule
Emp. Form.:
C25H40N4O5
Mol. Mass.:
476.6089
SMILES:
CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: