| Reaction Details |
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 | Report a problem with these data |
| Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
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| Ligand | BDBM50009426 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_80659 |
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| IC50 | 5±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 |
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| Synonyms: | HMDH_RAT | HMG-CoA reductase | Hmgcr |
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| Type: | Enzyme |
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| Mol. Mass.: | 96689.85 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Isolated rat liver microsomes were used as enzyme source. |
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| Residue: | 887 |
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| Sequence: | MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSS
DIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTG
LNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIG
VGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFAR
VLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTAEQSKVSLGLAEDVSKR
IEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQAETESTLSLKNPITSPVVT
PKKAQDNCCRREPLLVRRNQKLSSVEEDPGVNQDRKVEVIKPLVAEAETSGRATFVLGAS
AASPPLALGAQEPGIELPSEPRPNEECLQILESAEKGAKFLSDAEIIQLVNAKHIPAYKL
ETLMETHERGVSIRRQLLSAKLAEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVA
GPLCLDGKEYQVPMATTEGCLVASTNRGCRAISLGGGASSRVLADGMSRGPVVRLPRACD
SAEVKSWLETPEGFAVVKEAFDSTSRFARLQKLHVTLAGRNLYIRLQSKTGDAMGMNMIS
KGTEKALLKLQEFFPELQILAVSGNYCTDKKPAAINWIEGRGKTVVCEAVIPAKVVREVL
KTTTEAMVDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLM
EASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARI
VCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKAA
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| BDBM50009426 |
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| n/a |
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| Name | BDBM50009426 |
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| Synonyms: | 2,2-Dimethyl-butyric acid 4-benzylcarbamoyloxy-8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-decahydro-naphthalen-1-yl ester | CHEMBL3349538 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H49NO7 |
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| Mol. Mass. | 571.7447 |
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| SMILES | [H][C@@]12CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C1[C@H](C[C@@H](C)[C@H]2OC(=O)NCc1ccccc1)OC(=O)C(C)(C)CC |
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| Structure | 
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