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Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50014698
Substrate
n/a
Meas. Tech.
ChEMBL_80651 (CHEMBL691937)
IC50
2300±n/a nM
Citation
 Roth, BD; Ortwine, DF; Hoefle, ML; Stratton, CD; Sliskovic, DR; Wilson, MW; Newton, RS Inhibitors of cholesterol biosynthesis. 1. trans-6-(2-pyrrol-1-ylethyl)-4-hydroxypyran-2-ones, a novel series of HMG-CoA reductase inhibitors. 1. Effects of structural modifications at the 2- and 5-positions of the pyrrole nucleus. J Med Chem 33:21-31 (1990) [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:
BDBM50014698
Synonyms:
6-[2-(2-Bicyclo[2.2.2]oct-2-yl-5-methyl-pyrrol-1-yl)-ethyl]-4-hydroxy-tetrahydro-pyran-2-one | CHEMBL265305
Type:
Small organic molecule
Emp. Form.:
C20H29NO3
Mol. Mass.:
331.4492
SMILES:
Cc1ccc(C2CC3CCC2CC3)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 |wU:18.21,wD:16.18,THB:4:5:9.8:11.12,(16.76,-9.75,;15.32,-10.27,;14.89,-11.75,;13.34,-11.8,;12.81,-10.33,;11.33,-9.91,;10.62,-8.66,;9.37,-9.26,;8.02,-8.49,;8.71,-10.11,;10.2,-10.51,;9.88,-11.88,;9.21,-10.72,;14.03,-9.4,;14.03,-7.86,;15.38,-7.08,;15.38,-5.54,;14.06,-4.77,;14.06,-3.23,;12.71,-2.45,;15.38,-2.45,;16.72,-3.23,;18.05,-2.45,;16.72,-4.77,)|
Structure:
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