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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C9 | ||
| Ligand | BDBM50559616 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2069871 (CHEMBL4725124) | ||
| IC50 | >10000±n/a nM | ||
| Citation |  Ma, B; Guckian, KM; Liu, XG; Yang, C; Li, B; Scannevin, R; Mingueneau, M; Drouillard, A; Walzer, T Novel Potent Selective Orally Active S1P5 Receptor Antagonists. ACS Med Chem Lett12:351-355 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cytochrome P450 2C9 | |||
| Name: | Cytochrome P450 2C9 | ||
| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 55636.33 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P11712 | ||
| Residue: | 490 | ||
| Sequence: |
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| BDBM50559616 | |||
| n/a | |||
| Name | BDBM50559616 | ||
| Synonyms: | CHEMBL4748198 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H39NO3 | ||
| Mol. Mass. | 437.6142 | ||
| SMILES | Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CN2CCC(CC2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(21.06,-7.5,;21.06,-9.04,;19.74,-9.81,;19.73,-11.36,;18.4,-12.13,;17.07,-11.36,;17.07,-9.81,;15.75,-9.04,;14.41,-9.8,;14.41,-11.34,;15.74,-12.12,;13.08,-9.02,;13.09,-7.48,;11.74,-9.79,;11.74,-8.25,;21.07,-12.13,;21.07,-13.67,;22.41,-14.44,;22.4,-15.98,;23.73,-16.74,;25.07,-15.98,;25.07,-14.43,;23.73,-13.66,;26.4,-16.75,;27.74,-15.98,;26.4,-18.29,;22.4,-11.35,;23.74,-12.12,;25.07,-11.34,;25.06,-9.79,;23.72,-9.03,;22.4,-9.81,)| | ||
| Structure | 
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