Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCollagenase 3
LigandBDBM50187783
Substrate/Competitorn/a
Meas. Tech.ChEMBL_377988 (CHEMBL867337)
IC50 79±n/a nM
Citation Park, KAplasca, ADu, MTSun, LZhu, YZhang, YLevin, JI Design and synthesis of butynyloxyphenyl beta-sulfone piperidine hydroxamates as TACE inhibitors. Bioorg Med Chem Lett16:3927-31 (2006) [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:
BDBM50187783
n/a
NameBDBM50187783
Synonyms:4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(4-methylbenzoyl)piperidine-4-carboxamide | CHEMBL377862
TypeSmall organic molecule
Emp. Form.C25H28N2O6S
Mol. Mass.484.565
SMILESCC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: