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Target3-hydroxy-3-methylglutaryl-coenzyme A reductase
LigandBDBM50346289
Substrate/Competitorn/a
Meas. Tech.ChEMBL_750037 (CHEMBL1787314)
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 Lett21:2725-31 (2011) [PubMed]  Article
More Info.:Get all data from this article,  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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50346289
n/a
NameBDBM50346289
Synonyms:CHEMBL1782561 | sodium(3R,5R)-7-(5-cyclopropyl-4-(2,4-difluorobenzylcarbamoyl)-2-(4-fluorophenyl)-1H-imidazol-1-yl)-3,5-dihydroxyheptanoate
TypeSmall organic molecule
Emp. Form.C27H27F3N3O5
Mol. Mass.530.5161
SMILESO[C@H](CCn1c(nc(C(=O)NCc2ccc(F)cc2F)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
Structure
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