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Target3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
LigandBDBM50215666
Substrate/Competitorn/a
Meas. Tech.ChEMBL_439781
IC50 1.8±n/a nM
Citation Pfefferkorn, JAChoi, CSong, YTrivedi, BKLarsen, SDAskew, VDillon, LHanselman, JCLin, ZLu, GRobertson, ASekerke, CAuerbach, BPavlovsky, AHarris, MSBainbridge, GCaspers, N Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg Med Chem Lett17:4531-7 (2007) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50215666
NameBDBM50215666
Synonyms:(3R,5R)-7-(3,4-bis(4-fluorophenyl)-1-isopropyl-5-(phenylcarbamoyl)-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoic acid | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID | CHEMBL389002
TypeSmall organic molecule
Emp. Form.C33H34F2N2O5
Mol. Mass.576.6303
SMILESCC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1
Structure
n/a