Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50388532 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_830276 (CHEMBL2060827) |
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IC50 | >6000±n/a nM |
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Citation | Nagle, A; Wu, T; Kuhen, K; Gagaring, K; Borboa, R; Francek, C; Chen, Z; Plouffe, D; Lin, X; Caldwell, C; Ek, J; Skolnik, S; Liu, F; Wang, J; Chang, J; Li, C; Liu, B; Hollenbeck, T; Tuntland, T; Isbell, J; Chuan, T; Alper, PB; Fischli, C; Brun, R; Lakshminarayana, SB; Rottmann, M; Diagana, TT; Winzeler, EA; Glynne, R; Tully, DC; Chatterjee, AK Imidazolopiperazines: lead optimization of the second-generation antimalarial agents. J Med Chem55:4244-73 (2012) [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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BDBM50388532 |
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n/a |
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Name | BDBM50388532 |
Synonyms: | CHEMBL2058833 |
Type | Small organic molecule |
Emp. Form. | C22H23F2N5O |
Mol. Mass. | 411.4477 |
SMILES | CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN |
Structure |
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