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Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50215669
Substrate
n/a
Meas. Tech.
ChEMBL_439781 (CHEMBL888891)
IC50
2.9±n/a nM
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 Lett 17:4531-7 (2007) [PubMed]  Article 
Target
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:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVTQKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNSSLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA
  
Inhibitor
Name:
BDBM50215669
Synonyms:
CHEMBL389216 | sodium (3R,5R)-7-(5-(3-chlorophenyl)-1-(4-fluorophenyl)-3-isopropyl-4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl)-3,5-dihydroxyheptanoate
Type:
Small organic molecule
Emp. Form.:
C33H31ClFN2O5
Mol. Mass.:
590.062
SMILES:
CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(Cl)c1)c1ccccc21
Structure:
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