| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50536194 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1933085 (CHEMBL4478737) |
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| IC50 | >100000±n/a nM |
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| Citation |  Norcross, NR; Baragaña, B; Wilson, C; Hallyburton, I; Osuna-Cabello, M; Norval, S; Riley, J; Stojanovski, L; Simeons, FR; Porzelle, A; Grimaldi, R; Wittlin, S; Duffy, S; Avery, VM; Meister, S; Sanz, L; Jiménez-Díaz, B; Angulo-Barturen, I; Ferrer, S; Martínez, MS; Gamo, FJ; Frearson, JA; Gray, DW; Fairlamb, AH; Winzeler, EA; Waterson, D; Campbell, SF; Willis, P; Read, KD; Gilbert, IH Trisubstituted Pyrimidines as Efficacious and Fast-Acting Antimalarials. J Med Chem59:6101-20 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 1A2 |
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| Name: | Cytochrome P450 1A2 |
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| Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM50536194 |
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| n/a |
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| Name | BDBM50536194 |
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| Synonyms: | CHEMBL4569641 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H28N6O |
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| Mol. Mass. | 416.5187 |
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| SMILES | C(C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1)N1CCOCC1 |
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| Structure | 
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