| 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 | BDBM50215672 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_439781 (CHEMBL888891) |
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| IC50 | 1.9±n/a nM |
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| Citation |  Pfefferkorn, JA; Choi, C; Song, Y; Trivedi, BK; Larsen, SD; Askew, V; Dillon, L; Hanselman, JC; Lin, Z; Lu, G; Robertson, A; Sekerke, C; Auerbach, B; Pavlovsky, A; Harris, MS; Bainbridge, G; Caspers, N Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg Med Chem Lett17:4531-7 (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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 97477.10 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P04035 |
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| Residue: | 888 |
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| Sequence: | MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSS
DIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTG
LNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIG
VGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFAR
VLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKR
IEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVT
QKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNS
SLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYK
LETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGV
AGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRAC
DSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMI
SKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREV
LKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITL
MEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLAR
IVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA
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| BDBM50215672 |
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| n/a |
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| Name | BDBM50215672 |
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| Synonyms: | CHEMBL228528 | sodium (3R,5R)-7-(5-(3-fluorophenyl)-1-(4-fluorophenyl)-3-isopropyl-4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl)-3,5-dihydroxyheptanoate |
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| Type | Small organic molecule |
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| Emp. Form. | C33H31F2N2O5 |
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| Mol. Mass. | 573.607 |
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| SMILES | CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(F)c1)c1ccccc21 |
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| Structure | 
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