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Target
Interstitial collagenase
Ligand
BDBM50064346
Substrate
n/a
Meas. Tech.
ChEMBL_106449 (CHEMBL717833)
Ki
8400±n/a nM
Citation
 Cherney, RJ; Wang, L; Meyer, DT; Xue, CB; Wasserman, ZR; Hardman, KD; Welch, PK; Covington, MB; Copeland, RA; Arner, EC; DeGrado, WF; Decicco, CP Macrocyclic amino carboxylates as selective MMP-8 inhibitors. J Med Chem 41:1749-51 (1998) [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:
BDBM50064346
Synonyms:
(8R,10S,13S)-13-Methylcarbamoyl-5,11,16-trioxo-10-phenethyl-1-oxa-4,9,12-triaza-cyclohexadecane-8-carboxylic acid | CHEMBL298167
Type:
Small organic molecule
Emp. Form.:
C23H32N4O7
Mol. Mass.:
476.5228
SMILES:
CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O
Structure:
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