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Target
Interstitial collagenase
Ligand
BDBM50177315
Substrate
n/a
Meas. Tech.
ChEMBL_334534 (CHEMBL862517)
Ki
>4949±n/a nM
Citation
 Cherney, RJ; King, BW; Gilmore, JL; Liu, RQ; Covington, MB; Duan, JJ; Decicco, CP Conversion of potent MMP inhibitors into selective TACE inhibitors. Bioorg Med Chem Lett 16:1028-31 (2006) [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:
BDBM50177315
Synonyms:
2-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-dioxo-1lambda*6*-[1,2]thiazinane-3-carboxylic acid hydroxyamide | 2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-dioxo-[1,2]thiazinane-3-carboxylic acid hydroxyamide | CHEMBL203160
Type:
Small organic molecule
Emp. Form.:
C22H23N3O5S
Mol. Mass.:
441.5
SMILES:
Cc1cc(COc2ccc(cc2)N2C(CCCS2(=O)=O)C(=O)NO)c2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: