Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHMG-CoA synthase
LigandBDBM50452635
Substrate/Competitorn/a
Meas. Tech.ChEBML_78360
IC50 19±n/a nM
Citation Balasubramanian, NBrown, PJCatt, JDHan, WTParker, RASit, SYWright, JJ A potent, tissue-selective, synthetic inhibitor of HMG-CoA reductase. J Med Chem32:2038-41 (1989) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
HMG-CoA synthase
Name:HMG-CoA synthase
Synonyms:3-hydroxy-3-methylglutaryl coenzyme A synthase | Hydroxymethylglutaryl-CoA synthase, cytoplasmic
Type:PROTEIN
Mol. Mass.:57428.09
Organism:Rattus norvegicus
Description:ChEMBL_78360
Residue:520
Sequence:
MPGSLPLNAEACWPKDVGIVALEIYFPSQYVDQAELEKYDGVDAGKYTIGLGQARMGFCT
DREDINSLCLTVVQKLMERNSLSYDCIGRLEVGTETIIDKSKSVKSNLMQLFEESGNTDI
EGIDTTNACYGGTAAVFNAVNWIESSSWDGRYALVVAGDIAIYASGNARPTGGVGAVALL
IGPNAPVIFDRGLRGTHMQHAYDFYKPDMLSEYPVVDGKLSIQCYLSALDRCYSVYRKKI
RAQWQKEGKDKDFTLNDFGFMIFHSPYCKLVQKSLARMFLNDFLNDQNRDKNSIYSGLEA
FGDVKLEDTYFDRDVEKAFMKASAELFNQKTKASLLVSNQNGNMYTSSVYGSLASVLAQY
SPQQLAGKRIGVFSYGSGLAATLYSLKVTQDATPGSALDKITASLCDLKSRLDSRTCVAP
DVFAENMKLREDTHHLANYIPQCSIDSLFEGTWYLVRVDEKHRRTYARRPSTNDHSLDEG
VGLVHSNTATEHIPSPAKKVPRLPATSGEPESAVISNGEH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50452635
NameBDBM50452635
Synonyms:CHEMBL2367463
TypeSmall organic molecule
Emp. Form.C23H20F2N4O3
Mol. Mass.438.4267
SMILES[#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@H]-1-[#6]-[#6@H](-[#8])-[#6]-[#6](=O)-[#8]1)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
Structure
n/a