Reaction Details | |||
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Target | Ceramide glucosyltransferase | ||
Ligand | BDBM50356095 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_775861 (CHEMBL1912402) | ||
IC50 | 7±n/a nM | ||
Citation | Koltun, E; Richards, S; Chan, V; Nachtigall, J; Du, H; Noson, K; Galan, A; Aay, N; Hanel, A; Harrison, A; Zhang, J; Won, KA; Tam, D; Qian, F; Wang, T; Finn, P; Ogilvie, K; Rosen, J; Mohan, R; Larson, C; Lamb, P; Nuss, J; Kearney, P Discovery of a new class of glucosylceramide synthase inhibitors. Bioorg Med Chem Lett21:6773-7 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Ceramide glucosyltransferase | |||
Name: | Ceramide glucosyltransferase | ||
Synonyms: | CEGT_HUMAN | GCS | GLCT-1 | Glucosylceramide synthase | UDP-glucose ceramide glucosyltransferase | UDP-glucose:N-acylsphingosine D-glucosyltransferase | UGCG | ||
Type: | PROTEIN | ||
Mol. Mass.: | 44859.25 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1435474 | ||
Residue: | 394 | ||
Sequence: |
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BDBM50356095 | |||
n/a | |||
Name | BDBM50356095 | ||
Synonyms: | CHEMBL1911830 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H30ClF3N4O4 | ||
Mol. Mass. | 603.032 | ||
SMILES | FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@H]2CN3CCC2CC3)c(Cl)c1 |r,wU:31.32,wD:18.18,(32.59,-40.93,;32.59,-39.39,;33.93,-38.62,;33.92,-40.16,;31.26,-38.61,;29.92,-39.38,;28.59,-38.6,;28.61,-37.06,;27.28,-36.29,;27.29,-34.75,;28.62,-33.98,;28.63,-32.44,;27.29,-31.67,;25.96,-32.44,;25.96,-33.97,;24.63,-34.74,;24.62,-36.28,;23.3,-33.96,;21.96,-34.73,;21.96,-36.27,;20.62,-37.04,;20.62,-38.58,;21.96,-39.36,;21.95,-40.9,;23.28,-41.67,;24.62,-40.9,;24.62,-39.36,;23.28,-38.59,;20.63,-33.96,;20.63,-32.42,;19.29,-34.73,;17.96,-33.95,;16.62,-34.73,;15.29,-33.95,;15.3,-32.41,;16.64,-31.64,;17.96,-32.42,;16.42,-32.45,;16.82,-33.94,;29.94,-36.29,;29.93,-34.75,;31.26,-37.06,)| | ||
Structure |