| 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 | BDBM18382 |
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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 | 0.85±n/a nM |
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| Citation |  Bratton, LD; Auerbach, B; Choi, C; Dillon, L; Hanselman, JC; Larsen, SD; Lu, G; Olsen, K; Pfefferkorn, JA; Robertson, A; Sekerke, C; Trivedi, BK; Unangst, PC Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase. Bioorg Med Chem15:5576-89 (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 |
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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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| BDBM18382 |
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| BDBM18373 |
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| Name | BDBM18382 |
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| Synonyms: | Alkyl substituted pyrrole compound, 29f | disodium 4-[({5-[(3R,5R)-6-carboxylato-3,5-dihydroxyhexyl]-1-ethyl-4-(4-fluorophenyl)-3-methyl-1H-pyrrol-2-yl}formamido)methyl]benzoate |
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| Type | Small organic molecule |
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| Emp. Form. | C29H31FN2O7 |
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| Mol. Mass. | 538.5651 |
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| SMILES | CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C([O-])=O)-c1ccc(F)cc1 |r| |
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| Structure | 
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