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TargetHMG-CoA reductase
LigandBDBM50013211
Substrate/Competitorn/a
Meas. Tech.ChEMBL_80661
IC50 3±n/a nM
Citation Jendralla, HBaader, EBartmann, WBeck, GBergmann, AGranzer, Evon Kerekjarto, BKesseler, KKrause, RSchubert, W Synthesis and biological activity of new HMG-CoA reductase inhibitors. 2. Derivatives of 7-(1H-pyrrol-3-yl)-substituted-3,5-dihydroxyhept-6(E)-enoic (-heptanoic) acids. J Med Chem33:61-70 (1990) [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:
BDBM50013211
NameBDBM50013211
Synonyms:(racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxy-heptanoic acid | CHEMBL162125 | Sodium salt of7-[4-(4-Fluoro-phenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3R,5R-dihydroxy-heptanoic acid
TypeSmall organic molecule
Emp. Form.C26H29FNO4
Mol. Mass.438.5117
SMILESCC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a