Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCollagenase 3
LigandBDBM50033804
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1435763
IC50 3100±n/a nM
Citation Durham TBKlimkowski VJRito CJMarimuthu JToth JLLiu CDurbin JDStout SLAdams LSwearingen CLin CChambers MGThirunavukkarasu KWiley MR Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis. J Med Chem 57:10476-85 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Collagenase 3
Name:Collagenase 3
Synonyms: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:P45452
Residue:471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50033804
n/a
NameBDBM50033804
Synonyms:CHEMBL3358154
TypeSmall organic molecule
Emp. Form.C19H15ClN4O4
Mol. Mass.398.8
SMILESCc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: