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Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM18372
Substrate
n/a
Meas. Tech.
ChEMBL_750037 (CHEMBL1787314)
IC50
3.1±n/a nM
Citation
 Pfefferkorn, JA; Litchfield, J; Hutchings, R; Cheng, XM; Larsen, SD; Auerbach, B; Bush, MR; Lee, C; Erasga, N; Bowles, DM; Boyles, DC; Lu, G; Sekerke, C; Askew, V; Hanselman, JC; Dillon, L; Lin, Z; Robertson, A; Olsen, K; Boustany, C; Atkinson, K; Goosen, TC; Sahasrabudhe, V; Chupka, J; Duignan, DB; Feng, B; Scialis, R; Kimoto, E; Bi, YA; Lai, Y; El-Kattan, A; Bakker-Arkema, R; Barclay, P; Kindt, E; Le, V; Mandema, JW; Milad, M; Tait, BD; Kennedy, R; Trivedi, BK; Kowala, M Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution. Bioorg Med Chem Lett 21:2725-31 (2011) [PubMed]  Article 
Target
Name:
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Synonyms:
HMDH_RAT | HMG-CoA reductase | Hmgcr
Type:
Enzyme
Mol. Mass.:
96689.85
Organism:
Rattus norvegicus (rat)
Description:
Isolated rat liver microsomes were used as enzyme source.
Residue:
887
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTAEQSKVSLGLAEDVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQAETESTLSLKNPITSPVVTPKKAQDNCCRREPLLVRRNQKLSSVEEDPGVNQDRKVEVIKPLVAEAETSGRATFVLGASAASPPLALGAQEPGIELPSEPRPNEECLQILESAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSAKLAEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDGKEYQVPMATTEGCLVASTNRGCRAISLGGGASSRVLADGMSRGPVVRLPRACDSAEVKSWLETPEGFAVVKEAFDSTSRFARLQKLHVTLAGRNLYIRLQSKTGDAMGMNMISKGTEKALLKLQEFFPELQILAVSGNYCTDKKPAAINWIEGRGKTVVCEAVIPAKVVREVLKTTTEAMVDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKAA
  
Inhibitor
Name:
BDBM18372
Synonyms:
(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid | CHEMBL1496 | Ros | Rosuvastatin | US9102656, Rosuvastatin | ZD4522
Type:
Small organic molecule
Emp. Form.:
C22H28FN3O6S
Mol. Mass.:
481.538
SMILES:
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Structure:
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