Reaction Details |
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
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Ligand | BDBM34168 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_950482 (CHEMBL2351234) |
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IC50 | 19800±n/a nM |
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Citation | Chen, JB; Chern, TR; Wei, TT; Chen, CC; Lin, JH; Fang, JM Design and synthesis of dual-action inhibitors targeting histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme A reductase for cancer treatment. J Med Chem56:3645-55 (2013) [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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BDBM34168 |
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n/a |
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Name | BDBM34168 |
Synonyms: | LOVASTATIN | MLS000069585 | SMR000058779 | US9115116, lovastatin | US9353061, Lovastatina | cid_53232 |
Type | Small organic molecule |
Emp. Form. | C24H36O5 |
Mol. Mass. | 404.5396 |
SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11| |
Structure |
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