Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50519571 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1876809 (CHEMBL4378203) |
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IC50 | >20000±n/a nM |
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Citation | Munck Af Rosenschöld, M; Johannesson, P; Nikitidis, A; Tyrchan, C; Chang, HF; Rönn, R; Chapman, D; Ullah, V; Nikitidis, G; Glader, P; Käck, H; Bonn, B; Wågberg, F; Björkstrand, E; Andersson, U; Swedin, L; Rohman, M; Andreasson, T; Bergström, EL; Jiang, F; Zhou, XH; Lundqvist, AJ; Malmberg, A; Ek, M; Gordon, E; Pettersen, A; Ripa, L; Davis, AM Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1 J Med Chem62:7769-7787 (2019) [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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BDBM50519571 |
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n/a |
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Name | BDBM50519571 |
Synonyms: | CHEMBL4454609 |
Type | Small organic molecule |
Emp. Form. | C25H23ClN2O4 |
Mol. Mass. | 450.914 |
SMILES | COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12 |r| |
Structure |
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