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Target
Interstitial collagenase
Ligand
BDBM50127464
Substrate
n/a
Meas. Tech.
ChEMBL_106136 (CHEMBL718683)
Ki
>4949.0±n/a nM
Citation
 Cherney, RJ; Duan, JJ; Voss, ME; Chen, L; Wang, L; Meyer, DT; Wasserman, ZR; Hardman, KD; Liu, RQ; Covington, MB; Qian, M; Mandlekar, S; Christ, DD; Trzaskos, JM; Newton, RC; Magolda, RL; Wexler, RR; Decicco, CP Design, synthesis, and evaluation of benzothiadiazepine hydroxamates as selective tumor necrosis factor-alpha converting enzyme inhibitors. J Med Chem 46:1811-23 (2003) [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:
BDBM50127464
Synonyms:
4-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-4-hydroxycarbamoyl-butyric acid methyl ester | CHEMBL53123
Type:
Small organic molecule
Emp. Form.:
C23H29N3O9S
Mol. Mass.:
523.556
SMILES:
COC(=O)CC[C@@H](N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O)C(=O)NO
Structure:
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