Ki Summary

Reaction Details

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Target

3-hydroxy-3-methylglutaryl-coenzyme A reductase

Ligand

BDBM22162

Substrate/Competitor

BDBM18373

Meas. Tech.

HMG-CoA Reductase Enzyme Assay and Inhibition of Cellular Cholesterol Synthesis Assay

7±n/a

Temperature

310.15±n/a K

IC50

2.9±0.1 nM

EC50

7.5±1.9 nM

Citation

Ahmad, S; Madsen, CS; Stein, PD; Janovitz, E; Huang, C; Ngu, K; Bisaha, S; Kennedy, LJ; Chen, BC; Zhao, R; Sitkoff, D; Monshizadegan, H; Yin, X; Ryan, CS; Zhang, R; Giancarli, M; Bird, E; Chang, M; Chen, X; Setters, R; Search, D; Zhuang, S; Nguyen-Tran, V; Cuff, CA; Harrity, T; Darienzo, CJ; Li, T; Reeves, RA; Blanar, MA; Barrish, JC; Zahler, R; Robl, JA (3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic Acid (BMS-644950): A Rationally Designed Orally Efficacious 3-Hydroxy-3-methylglutaryl Coenzyme-A Reductase Inhibitor with Reduced Myotoxicity Potential. J Med Chem51:2722-33 (2008) [PubMed] Article

More Info.:

Get all data from this article, Solution Info, 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

BDBM22162

BDBM18373

Name

BDBM22162

Synonyms:

sodium (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H-1,2,4-triazol-5-yl)methanesulfonamido]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate | triazole compound, 1c

Type

Small organic molecule

Emp. Form.

C24H29FN6O6S

Mol. Mass.

548.587

SMILES

CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ncnn1C)S(C)(=O)=O |r|

Structure