Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50049400
Substrate
n/a
Meas. Tech.
ChEMBL_827437 (CHEMBL2051216)
IC50
5750±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:
Macrophage metalloelastase
Synonyms:
HME | MMP12 | MMP12_HUMAN | Matrix metalloproteinase 12 | Matrix metalloproteinase-12 (MMP 12) | Matrix metalloproteinase-12 (MMP-12) | Matrix metalloproteinase-12 (MMP12) | Matrix metalloproteinases 12 (MMP-12)
Type:
Enzyme
Mol. Mass.:
54012.99
Organism:
Homo sapiens (Human)
Description:
P39900
Residue:
470
Sequence:
MKFLLILLLQATASGALPLNSSTSLEKNNVLFGERYLEKFYGLEINKLPVTKMKYSGNLMKEKIQEMQHFLGLKVTGQLDTSTLEMMHAPRCGVPDVHHFREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYGDPKENQRLPNPDNSEPALCDPNLSFDAVTTVGNKIFFFKDRFFWLKVSERPKTSVNLISSLWPTLPSGIEAAYEIEARNQVFLFKDDKYWLISNLRPEPNYPKSIHSFGFPNFVKKIDAAVFNPRFYRTYFFVDNQYWRYDERRQMMDPGYPKLITKNFQGIGPKIDAVFYSKNKYYYFFQGSNQFEYDFLLQRITKTLKSNSWFGC
  
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: