Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50563052 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2147586 (CHEMBL5031932) |
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IC50 | >20000±n/a nM |
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Citation | Kai, H; Horiguchi, T; Kameyma, T; Onodera, N; Itoh, N; Fujii, Y; Ichihashi, Y; Hirai, K; Shintani, T; Nakamura, K; Minami, K; Kasai, E; Yoneda, S; Murakami, Y; Ogawa, H; Sekimoto, R; Shinohara, S; Yoshida, O; Kurose, N Discovery of clinical candidate Sivopixant (S-600918): Lead optimization of dioxotriazine derivatives as selective P2X3 receptor antagonists. Bioorg Med Chem Lett52:0 (2021) [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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BDBM50563052 |
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n/a |
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Name | BDBM50563052 |
Synonyms: | CHEMBL4748113 |
Type | Small organic molecule |
Emp. Form. | C23H25ClN4O5 |
Mol. Mass. | 472.921 |
SMILES | CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl |
Structure |
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