Reaction Details |
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
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Ligand | BDBM50406549 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_80659 |
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IC50 | 6.6±n/a nM |
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Citation | Duggan, ME; Alberts, AW; Bostedor, R; Chao, YS; Germershausen, JI; Gilfillan, JL; Halczenko, W; Hartman, GD; Hunt, V; Imagire, JS 3-Hydroxy-3-methylglutaryl-coenzyme a reductase inhibitors. 7. Modification of the hexahydronaphthalene moiety of simvastatin: 5-oxygenated and 5-oxa derivatives. J Med Chem34:2489-95 (1991) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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3-hydroxy-3-methylglutaryl-coenzyme A reductase |
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Name: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
Synonyms: | HMDH_RAT | HMG-CoA reductase | Hmgcr |
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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BDBM50406549 |
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n/a |
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Name | BDBM50406549 |
Synonyms: | CHEMBL2115196 | CHEMBL3349562 |
Type | Small organic molecule |
Emp. Form. | C31H46O6S |
Mol. Mass. | 546.758 |
SMILES | [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@](C)(CSc1ccccc1)O2)OC(=O)C(C)(C)CC |
Structure |
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