Reaction Details |
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
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Ligand | BDBM18399 |
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Substrate/Competitor | BDBM18373 |
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Meas. Tech. | HMG-CoA Reductase In Vitro Assay |
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pH | 7.2±n/a |
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Temperature | 310.15±n/a K |
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IC50 | 6.7±n/a nM |
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Citation | Larsen, SD; Poel, TJ; Filipski, KJ; Kohrt, JT; Pfefferkorn, JA; Sorenson, RJ; Tait, BD; Askew, V; Dillon, L; Hanselman, JC; Lu, GH; Robertson, A; Sekerke, C; Kowala, MC; Auerbach, BJ Pyrazole inhibitors of HMG-CoA reductase: An attempt to dramatically reduce synthetic complexity through minimal analog re-design. Bioorg Med Chem Lett17:5567-72 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM18399 |
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BDBM18373 |
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Name | BDBM18399 |
Synonyms: | (3R,5S)-6-[(3-{[(4-chlorophenyl)methyl]carbamoyl}-1-(4-fluorophenyl)-4-(propan-2-yl)-1H-pyrazol-5-yl)oxy]-3,5-dihydroxyhexanoic acid | oxypyrazole, 4l |
Type | Small organic molecule |
Emp. Form. | C26H29ClFN3O6 |
Mol. Mass. | 533.976 |
SMILES | CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(Cl)cc1)-c1ccc(F)cc1 |r| |
Structure |
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