Reaction Details | |||
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Target | Phosphatidylinositol 4-kinase alpha | ||
Ligand | BDBM50448077 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1292924 (CHEMBL3122829) | ||
IC50 | 5.01±n/a nM | ||
Citation | Leivers, AL; Tallant, M; Shotwell, JB; Dickerson, S; Leivers, MR; McDonald, OB; Gobel, J; Creech, KL; Strum, SL; Mathis, A; Rogers, S; Moore, CB; Botyanszki, J Discovery of selective small molecule type III phosphatidylinositol 4-kinase alpha (PI4KIIIa) inhibitors as anti hepatitis C (HCV) agents. J Med Chem57:2091-106 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Phosphatidylinositol 4-kinase alpha | |||
Name: | Phosphatidylinositol 4-kinase alpha | ||
Synonyms: | PI4-kinase alpha | PI4-kinase alpha subunit | PI4K-alpha | PI4KA | PI4KA/PI4KAP2 | PI4KA_HUMAN | PIK4 | PIK4 | PIK4CA | Phosphatidylinositol 4-kinase alpha | Phosphatidylinositol 4-kinase alpha (PI4KA) | PtdIns-4-kinase alpha | ||
Type: | Protein | ||
Mol. Mass.: | 231326.70 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P42356 | ||
Residue: | 2102 | ||
Sequence: |
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BDBM50448077 | |||
n/a | |||
Name | BDBM50448077 | ||
Synonyms: | CHEMBL3121308 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H18F5N5O4S | ||
Mol. Mass. | 603.52 | ||
SMILES | COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3C(F)(F)F)c(=O)c2c1 |(6.94,-44.12,;8.27,-43.35,;9.61,-44.12,;9.61,-45.66,;10.94,-46.43,;12.27,-45.66,;12.27,-44.12,;10.94,-43.35,;10.94,-41.8,;12.02,-40.7,;12.43,-42.19,;9.61,-41.03,;9.61,-39.5,;10.94,-38.73,;10.95,-37.19,;9.61,-36.42,;9.62,-34.88,;8.28,-37.18,;8.28,-38.72,;6.94,-39.49,;13.6,-46.43,;13.6,-47.97,;14.93,-48.74,;16.27,-47.96,;17.6,-48.73,;18.94,-47.96,;20.27,-48.72,;18.93,-46.41,;20.25,-45.63,;21.57,-46.4,;22.89,-45.63,;22.89,-44.09,;21.56,-43.33,;20.23,-44.1,;19.45,-42.76,;17.91,-42.77,;20.21,-41.42,;18.67,-41.43,;17.59,-45.65,;17.58,-44.11,;16.27,-46.42,;14.93,-45.66,)| | ||
Structure |