Reaction Details |
| Report a problem with these data |
Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase |
---|
Ligand | BDBM50346280 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_750037 (CHEMBL1787314) |
---|
IC50 | 7.2±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 Lett21:2725-31 (2011) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
3-hydroxy-3-methylglutaryl-coenzyme A reductase |
---|
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: | MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSS
DIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTG
LNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIG
VGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFAR
VLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTAEQSKVSLGLAEDVSKR
IEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQAETESTLSLKNPITSPVVT
PKKAQDNCCRREPLLVRRNQKLSSVEEDPGVNQDRKVEVIKPLVAEAETSGRATFVLGAS
AASPPLALGAQEPGIELPSEPRPNEECLQILESAEKGAKFLSDAEIIQLVNAKHIPAYKL
ETLMETHERGVSIRRQLLSAKLAEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVA
GPLCLDGKEYQVPMATTEGCLVASTNRGCRAISLGGGASSRVLADGMSRGPVVRLPRACD
SAEVKSWLETPEGFAVVKEAFDSTSRFARLQKLHVTLAGRNLYIRLQSKTGDAMGMNMIS
KGTEKALLKLQEFFPELQILAVSGNYCTDKKPAAINWIEGRGKTVVCEAVIPAKVVREVL
KTTTEAMVDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLM
EASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARI
VCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKAA
|
|
|
BDBM50346280 |
---|
n/a |
---|
Name | BDBM50346280 |
Synonyms: | CHEMBL1782553 | sodium(3R,5R)-7-(5-cyclopropyl-2-(4-fluorophenyl)-4-(3-methylbenzylcarbamoyl)-1H-imidazol-1-yl)-3,5-dihydroxyheptanoate |
Type | Small organic molecule |
Emp. Form. | C28H31FN3O5 |
Mol. Mass. | 508.5618 |
SMILES | Cc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)c1 |r| |
Structure |
|