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Target3-hydroxy-3-methylglutaryl-coenzyme A reductase
LigandBDBM22153
Substrate/CompetitorBDBM18373
Meas. Tech.HMG-CoA Reductase Enzyme Assay and Inhibition of Cellular Cholesterol Synthesis Assay
pH7±n/a
Temperature310.15±n/a K
IC50 12.4±0.7 nM
EC50 1.9±n/a nM
Citation Ahmad, SMadsen, CSStein, PDJanovitz, EHuang, CNgu, KBisaha, SKennedy, LJChen, BCZhao, RSitkoff, DMonshizadegan, HYin, XRyan, CSZhang, RGiancarli, MBird, EChang, MChen, XSetters, RSearch, DZhuang, SNguyen-Tran, VCuff, CAHarrity, TDarienzo, CJLi, TReeves, RABlanar, MABarrish, JCZahler, RRobl, JA (3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic Acid (BMS-644950): A Rationally Designed Orally Efficacious 3-Hydroxy-3-methylglutaryl Coenzyme-A Reductase Inhibitor with Reduced Myotoxicity Potential. J Med Chem51:2722-33 (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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BDBM22153
BDBM18373
NameBDBM22153
Synonyms:(3R,5S,6E)-7-{2-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)amino]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid | pyrazole compound, 11a
TypeSmall organic molecule
Emp. Form.C28H36FN5O4
Mol. Mass.525.6149
SMILESCC(C)c1nc(Nc2cc(nn2C)C(C)(C)C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
Structure
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