Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50555365 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2051799 (CHEMBL4706800) |
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IC50 | >20000±n/a nM |
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Citation | Kokkonda, S; Deng, X; White, KL; Coteron, JM; Marco, M; de Las Heras, L; White, J; El Mazouni, F; Tomchick, DR; Manjalanagara, K; Rudra, KR; Chen, G; Morizzi, J; Ryan, E; Kaminsky, W; Leroy, D; Martínez-Martínez, MS; Jimenez-Diaz, MB; Bazaga, SF; Angulo-Barturen, I; Waterson, D; Burrows, JN; Matthews, D; Charman, SA; Phillips, MA; Rathod, PK Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity. J Med Chem59:5416-31 (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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 58423.38 |
Organism: | Homo sapiens (Human) |
Description: | P05177 |
Residue: | 516 |
Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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BDBM50555365 |
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n/a |
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Name | BDBM50555365 |
Synonyms: | CHEMBL4751920 |
Type | Small organic molecule |
Emp. Form. | C18H18ClF2N5 |
Mol. Mass. | 377.819 |
SMILES | Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r| |
Structure |
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