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Target3-hydroxy-3-methylglutaryl-coenzyme A reductase
LigandBDBM20702
Substrate/CompetitorBDBM18373
Meas. Tech.HMG-CoA Reductase Enzyme Assay and Inhibition of Cellular Cholesterol Synthesis Assay
pH7.2±n/a
Temperature310.15±n/a K
IC50 12±2 nM
EC50 0.3±0.1 nM
Citation Pfefferkorn, JAChoi, CLarsen, SDAuerbach, BHutchings, RPark, WAskew, VDillon, LHanselman, JCLin, ZLu, GHRobertson, ASekerke, CHarris, MSPavlovsky, ABainbridge, GCaspers, NKowala, MTait, BD Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia. J Med Chem51:31-45 (2008) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
3-hydroxy-3-methylglutaryl-coenzyme A reductase
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:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSS
DIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTG
LNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIG
VGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFAR
VLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTAEQSKVSLGLAEDVSKR
IEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQAETESTLSLKNPITSPVVT
PKKAQDNCCRREPLLVRRNQKLSSVEEDPGVNQDRKVEVIKPLVAEAETSGRATFVLGAS
AASPPLALGAQEPGIELPSEPRPNEECLQILESAEKGAKFLSDAEIIQLVNAKHIPAYKL
ETLMETHERGVSIRRQLLSAKLAEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVA
GPLCLDGKEYQVPMATTEGCLVASTNRGCRAISLGGGASSRVLADGMSRGPVVRLPRACD
SAEVKSWLETPEGFAVVKEAFDSTSRFARLQKLHVTLAGRNLYIRLQSKTGDAMGMNMIS
KGTEKALLKLQEFFPELQILAVSGNYCTDKKPAAINWIEGRGKTVVCEAVIPAKVVREVL
KTTTEAMVDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLM
EASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARI
VCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKAA
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  Blast E-value cutoff:
BDBM20702
BDBM18373
NameBDBM20702
Synonyms:Tertiary Amide Analog, 44 | sodium (3R,5R)-7-[1-(4-fluorophenyl)-3-{[(4-methoxyphenyl)methyl](methyl)carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoate
TypeSmall organic molecule
Emp. Form.C29H35FN3O6
Mol. Mass.540.6037
SMILESCOc1ccc(CN(C)C(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: