Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCollagenase 3
LigandBDBM11870
Substrate/Competitorn/a
Meas. Tech.ChEMBL_754464 (CHEMBL1806089)
IC50 0.150000±n/a nM
Citation Becker, DPBarta, TEBedell, LJBoehm, TLBond, BRCarroll, JCarron, CPDecrescenzo, GAEaston, AMFreskos, JNFunckes-Shippy, CLHeron, MHockerman, SHoward, CPKiefer, JRLi, MHMathis, KJMcDonald, JJMehta, PPMunie, GESunyer, TSwearingen, CAVillamil, CIWelsch, DWilliams, JMYu, YYao, J Orally active MMP-1 sparinga-tetrahydropyranyl anda-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease. J Med Chem53:6653-80 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Collagenase 3
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:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11870
n/a
NameBDBM11870
Synonyms:4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy tetrahydro-2H-pyran-4-carboxamide | 4-{[4-(4-chlorophenoxy)benzene]sulfonyl}-N-hydroxyoxane-4-carboxamide | alpha-sulfone 21
TypeSmall organic molecule
Emp. Form.C18H18ClNO6S
Mol. Mass.411.857
SMILESONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: