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TargetHMG-CoA reductase
LigandBDBM50346282
Substrate/Competitorn/a
Meas. Tech.ChEMBL_750037
IC50 1.2±n/a nM
Citation Pfefferkorn JALitchfield JHutchings RCheng XMLarsen SDAuerbach BBush MRLee CErasga NBowles DMBoyles DCLu GSekerke CAskew VHanselman JCDillon LLin ZRobertson AOlsen KBoustany CAtkinson KGoosen TCSahasrabudhe VChupka JDuignan DBFeng BScialis RKimoto EBi YALai YEl-Kattan ABakker-Arkema RBarclay PKindt ELe VMandema JWMilad MTait BDKennedy RTrivedi BKKowala M Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution. Bioorg Med Chem Lett 21:2725-31 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
HMG-CoA reductase
Name:HMG-CoA reductase
Synonyms:n/a
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:
BDBM50346282
n/a
NameBDBM50346282
Synonyms:CHEMBL1782555 | sodium(3R,5R)-7-(5-cyclopropyl-2-(4-fluorophenyl)-4-(4-methoxybenzylcarbamoyl)-1H-imidazol-1-yl)-3,5-dihydroxyheptanoate
TypeSmall organic molecule
Emp. Form.C28H31FN3O6
Mol. Mass.524.5612
SMILESCOc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
Structure
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