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Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50291258
Substrate
n/a
Meas. Tech.
ChEBML_78181
IC50
9.7±n/a nM
Citation
 Coppola, GM; Damon, RE; Yu, H; Engstrom, RG; Scallen, TJ Design and biological evaluation of a series of thiophene-based 3-hydroxy-3-methylglutaryl coenzyme a reductase inhibitors Bioorg Med Chem Lett 7:549-554 (1997)    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:
BDBM50291258
Synonyms:
CHEMBL152366 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-phenyl)-2-isopropyl-5-p-tolyl-thiophen-3-yl]-3,5-dihydroxy-hept-6-enoate
Type:
Small organic molecule
Emp. Form.:
C27H28FO4S
Mol. Mass.:
467.573
SMILES:
CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: