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TargetHMG-CoA reductase
LigandBDBM50231019
Substrate/Competitorn/a
Meas. Tech.ChEMBL_461936
IC50 2.7±n/a nM
Citation Park WKKennedy RMLarsen SDMiller SRoth BDSong YSteinbaugh BASun KTait BDKowala MCTrivedi BKAuerbach BAskew VDillon LHanselman JCLin ZLu GHRobertson ASekerke C Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors. Bioorg Med Chem Lett 18:1151-6 (2008) [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:
BDBM50231019
n/a
NameBDBM50231019
Synonyms:CHEMBL402622 | sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-4-(4-methylpiperazin-1-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
TypeSmall organic molecule
Emp. Form.C31H39FN3O6S
Mol. Mass.600.722
SMILESCC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCN(C)CC1
Structure
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