Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHMG-CoA reductase
LigandBDBM50007274
Substrate/Competitorn/a
Meas. Tech.ChEBML_80660
IC50 30±n/a nM
Citation Jendralla, HGranzer, Evon Kerekjarto, BKrause, RSchacht, UBaader, EBartmann, WBeck, GBergmann, AKesseler, K Synthesis and biological activity of new HMG-CoA reductase inhibitors. 3. Lactones of 6-phenoxy-3,5-dihydroxyhexanoic acids. J Med Chem34:2962-83 (1991) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50007274
NameBDBM50007274
Synonyms:CHEMBL101831 | Disodiumsalt;6-{4'-Fluoro-5-[1-(4'-fluoro-6-hydroxy-5-isopropyl-biphenyl-3-ylsulfanyl)-1-methyl-ethylsulfanyl]-3-isopropyl-biphenyl-2-yloxy}-3,5-dihydroxy-hexanoic acid
TypeSmall organic molecule
Emp. Form.C39H42F2O6S2
Mol. Mass.708.875
SMILESCC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(c1[O-])-c1ccc(F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a