Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50049400
Substrate
n/a
Meas. Tech.
ChEMBL_827438 (CHEMBL2051217)
IC50
34600±n/a nM
Citation
 Wang, L; Li, X; Zhang, S; Lu, W; Liao, S; Liu, X; Shan, L; Shen, X; Jiang, H; Zhang, W; Huang, J; Li, H Natural products as a gold mine for selective matrix metalloproteinases inhibitors. Bioorg Med Chem 20:4164-71 (2012) [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:
BDBM50049400
Synonyms:
(+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-taxifolin | (2R,3R)-2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one | 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one | 3,5,7,3',4'-pentahydroxyflavanone | CHEMBL337309 | NSC-2801
Type:
Small organic molecule
Emp. Form.:
C15H12O7
Mol. Mass.:
304.2516
SMILES:
OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: