| 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 | BDBM50042622 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_305887 (CHEMBL832902) |
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| IC50 | 8.52±n/a nM |
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| Citation |  Thilagavathi, R; Kumar, R; Aparna, V; Sobhia, ME; Gopalakrishnan, B; Chakraborti, AK Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA). Bioorg Med Chem Lett15:1027-32 (2005) [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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| BDBM50042622 |
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| n/a |
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| Name | BDBM50042622 |
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| Synonyms: | (E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(3-methylamino-phenyl)-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid anion | CHEMBL431659 | Sodium; 7-[5-(4-fluoro-phenyl)-2-isopropyl-4-(3-methylamino-phenyl)-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoate |
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| Type | Small organic molecule |
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| Emp. Form. | C26H29FN3O4 |
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| Mol. Mass. | 466.5251 |
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| SMILES | CNc1cccc(c1)-c1nc(C(C)C)n(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 |
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| Structure | 
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