Reaction Details Report a problem with these data
Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50085047
Substrate
n/a
Meas. Tech.
ChEMBL_1343945 (CHEMBL3259254)
IC50
860000±n/a nM
Citation
 Dygos, JH; Jett, CM; Chinn, LJ; Miller, JE Hypolipidemic activity of 5-aryl-3-methylvaleric acid derivatives. J Med Chem 20:1705-8 (1978) [PubMed]  Article 
Target
Name:
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Synonyms:
HMDH_RAT | HMG-CoA reductase | Hmgcr
Type:
Enzyme
Mol. Mass.:
96689.85
Organism:
Rattus norvegicus (rat)
Description:
Isolated rat liver microsomes were used as enzyme source.
Residue:
887
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTAEQSKVSLGLAEDVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQAETESTLSLKNPITSPVVTPKKAQDNCCRREPLLVRRNQKLSSVEEDPGVNQDRKVEVIKPLVAEAETSGRATFVLGASAASPPLALGAQEPGIELPSEPRPNEECLQILESAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSAKLAEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDGKEYQVPMATTEGCLVASTNRGCRAISLGGGASSRVLADGMSRGPVVRLPRACDSAEVKSWLETPEGFAVVKEAFDSTSRFARLQKLHVTLAGRNLYIRLQSKTGDAMGMNMISKGTEKALLKLQEFFPELQILAVSGNYCTDKKPAAINWIEGRGKTVVCEAVIPAKVVREVLKTTTEAMVDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKAA
  
Inhibitor
Name:
BDBM50085047
Synonyms:
2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester | 2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester | CHEMBL565 | Clofibrate | EPIB | ETHYL CLOFIBRATE | Ethyl 2-(p-chlorophenoxy)isobutyrate | Ethyl chlorophenoxyisobutyrate | Liprin | alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester | alpha-p-Chlorophenoxyisobutyryl ethyl ester | ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Type:
Small organic molecule
Emp. Form.:
C12H15ClO3
Mol. Mass.:
242.699
SMILES:
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: