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Target
Collagenase 3
Ligand
BDBM11863
Substrate
n/a
Meas. Tech.
ChEMBL_1651669 (CHEMBL4000924)
IC50
0.010000±n/a nM
Citation
 Nara, H; Kaieda, A; Sato, K; Naito, T; Mototani, H; Oki, H; Yamamoto, Y; Kuno, H; Santou, T; Kanzaki, N; Terauchi, J; Uchikawa, O; Kori, M Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach. J Med Chem 60:608-626 (2017) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM11863
Synonyms:
4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N-hydroxyoxane-4-carboxamide | CHEMBL440498 | RS 130830 | RS-130,830 | alpha-tetrahydropyran beta-sulfone 1B
Type:
Small organic molecule
Emp. Form.:
C19H20ClNO6S
Mol. Mass.:
425.883
SMILES:
ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Structure:
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