Reaction Details |
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
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Ligand | BDBM50215707 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_456534 (CHEMBL922900) |
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IC50 | 0.7±n/a nM |
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Citation | Pfefferkorn, JA; Song, Y; Sun, KL; Miller, SR; Trivedi, BK; Choi, C; Sorenson, RJ; Bratton, LD; Unangst, PC; Larsen, SD; Poel, TJ; Cheng, XM; Lee, C; Erasga, N; Auerbach, B; Askew, V; Dillon, L; Hanselman, JC; Lin, Z; Lu, G; Robertson, A; Olsen, K; Mertz, T; Sekerke, C; Pavlovsky, A; Harris, MS; Bainbridge, G; Caspers, N; Chen, H; Eberstadt, M Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors. Bioorg Med Chem Lett17:4538-44 (2007) [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: | 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase | 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) | HMDH_HUMAN | HMG-CoA Reductase | HMG-CoA reductase (HMGR) | HMGCR |
Type: | Enzyme |
Mol. Mass.: | 97477.10 |
Organism: | Homo sapiens (Human) |
Description: | P04035 |
Residue: | 888 |
Sequence: | MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSS
DIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTG
LNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIG
VGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFAR
VLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKR
IEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVT
QKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNS
SLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYK
LETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGV
AGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRAC
DSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMI
SKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREV
LKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITL
MEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLAR
IVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA
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BDBM50215707 |
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n/a |
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Name | BDBM50215707 |
Synonyms: | CHEMBL250749 | sodium (3R,5R)-7-(5-((4-(methoxymethyl)benzyl)carbamoyl)-3-(4-fluorophenyl)-1-isopropyl-4-phenyl-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoate |
Type | Small organic molecule |
Emp. Form. | C36H40FN2O6 |
Mol. Mass. | 615.7116 |
SMILES | COCc1ccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)cc1 |
Structure |
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