Reaction Details |
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
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Ligand | BDBM50296080 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_579410 (CHEMBL1053165) |
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IC50 | 1800±n/a nM |
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Citation | Hosoda, S; Matsuda, D; Tomoda, H; Hashimoto, M; Aoyama, H; Hashimoto, Y Application of a 3,3-diphenylpentane skeleton as a multi-template for creation of HMG-CoA reductase inhibitors. Bioorg Med Chem Lett19:4228-31 (2009) [PubMed] Article |
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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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BDBM50296080 |
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n/a |
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Name | BDBM50296080 |
Synonyms: | CHEMBL551868 | sodium(3R,5S,E)-3,5-dihydroxy-7-(2-isopropyl-4-(3-phenylpentan-3-yl)phenyl)hept-6-enoate |
Type | Small organic molecule |
Emp. Form. | C27H35O4 |
Mol. Mass. | 423.5649 |
SMILES | CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C |r| |
Structure |
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