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TargetCollagenase
LigandBDBM50305844
Substrate/Competitorn/a
Meas. Tech.ChEMBL_605223
Ki 0.180000±n/a nM
Citation Schnute, MEO'Brien, PMNahra, JMorris, MHoward Roark, WHanau, CERuminski, PGScholten, JAFletcher, TRHamper, BCCarroll, JNPatt, WCShieh, HSCollins, BPavlovsky, AGPalmquist, KEAston, KWHitchcock, JRogers, MDMcDonald, JJohnson, ARMunie, GEWittwer, AJMan, CFSettle, SLNemirovskiy, OVickery, LEAgawal, ADyer, RDSunyer, T Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett20:576-80 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Collagenase
Name:Matrix metalloproteinase (1 and 13)
Synonyms:Collagenase 3 | MMP-13 | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:Enzyme
Mol. Mass.:53808.06
Organism:Homo sapiens (Human)
Description:n/a
Residue:471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50305844
NameBDBM50305844
Synonyms:4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid | CHEMBL605742
TypeSmall organic molecule
Emp. Form.C24H22N6O4
Mol. Mass.458.4693
SMILESCOc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(Cc3ccc(cc3)C(O)=O)n2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a