Reaction Details | |||
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Target | Cytochrome P450 2C19 | ||
Ligand | BDBM50538670 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1973674 (CHEMBL4606492) | ||
EC50 | 50000±n/a nM | ||
Citation | Janetka, JW; Hopper, AT; Yang, Z; Barks, J; Dhason, MS; Wang, Q; Sibley, LD Optimizing Pyrazolopyrimidine Inhibitors of Calcium Dependent Protein Kinase 1 for Treatment of Acute and Chronic Toxoplasmosis. J Med Chem63:6144-6163 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 2C19 | |||
Name: | Cytochrome P450 2C19 | ||
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C | ||
Type: | Enzyme | ||
Mol. Mass.: | 55935.47 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P33261 | ||
Residue: | 490 | ||
Sequence: |
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BDBM50538670 | |||
n/a | |||
Name | BDBM50538670 | ||
Synonyms: | CHEMBL4642579 | ||
Type | Small organic molecule | ||
Emp. Form. | C15H12FN7O | ||
Mol. Mass. | 325.3005 | ||
SMILES | Nc1ncnc2n(nc(Oc3cc(ccn3)C#N)c12)[C@H]1C[C@H](F)C1 |r,wU:19.21,wD:21.24,(4.07,-26.23,;4.07,-27.77,;2.74,-28.54,;2.74,-30.08,;4.08,-30.85,;5.42,-30.07,;6.89,-30.54,;7.79,-29.29,;6.87,-28.04,;7.34,-26.58,;8.84,-26.25,;9.3,-24.78,;10.8,-24.45,;11.85,-25.59,;11.38,-27.06,;9.87,-27.39,;11.25,-22.99,;11.72,-21.52,;5.41,-28.53,;7.38,-32,;8.75,-32.69,;8.06,-34.07,;8.55,-35.53,;6.68,-33.38,)| | ||
Structure |