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Target3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
LigandBDBM50007268
Substrate/Competitorn/a
Meas. Tech.ChEBML_78556
IC50>1000±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
 
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
Name:HMG-CoA reductase
Synonyms:3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase | HMG-CoA Reductase | HMG-CoA reductase (HMGR)
Type:Enzyme
Mol. Mass.:97477.10
Organism:Homo sapiens (Human)
Description:P04035
Residue:888
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSS
DIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTG
LNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIG
VGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFAR
VLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKR
IEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVT
QKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNS
SLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYK
LETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGV
AGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRAC
DSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMI
SKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREV
LKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITL
MEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLAR
IVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA
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  Blast E-value cutoff:
BDBM50007268
NameBDBM50007268
Synonyms:6-[4-{1-[4-[5-carboxylato-2,4-dihydroxy-(2R,4R)-pentyloxy]-3-(4-fluorophenyl)-5-isopropylphenylsulfanyl]-1-methylethylsulfanyl}-2-(4-fluorophenyl)-6-isopropylphenoxy]-3,5-dihydroxy-(3R,5R)-hexanoate;2Sodium ion | CHEMBL321076
TypeSmall organic molecule
Emp. Form.C45H52F2O10S2
Mol. Mass.855.016
SMILESCC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OC[C@H](O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC([O-])=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a