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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C19 | ||
| Ligand | BDBM50305505 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_604209 (CHEMBL1050354) | ||
| IC50 | 110±n/a nM | ||
| Citation |  Tang, Y; Wittlin, S; Charman, SA; Chollet, J; Chiu, FC; Morizzi, J; Johnson, LM; Tomas, JS; Scheurer, C; Snyder, C; Zhou, L; Dong, Y; Charman, WN; Matile, H; Urwyler, H; Dorn, A; Vennerstrom, JL The comparative antimalarial properties of weak base and neutral synthetic ozonides. Bioorg Med Chem Lett20:563-6 (2010) [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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| BDBM50305505 | |||
| n/a | |||
| Name | BDBM50305505 | ||
| Synonyms: | CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-4''-ylmethanamine | ||
| Type | Small organic molecule | ||
| Emp. Form. | C17H27NO3 | ||
| Mol. Mass. | 293.4012 | ||
| SMILES | NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)| | ||
| Structure | 
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