Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50014323 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_665392 (CHEMBL1261121) |
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IC50 | 49±n/a nM |
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Citation | He, L; He, F; Bi, H; Li, J; Zeng, S; Luo, HB; Huang, M Isoform-selective inhibition of chrysin towards human cytochrome P450 1A2. Kinetics analysis, molecular docking, and molecular dynamics simulations. Bioorg Med Chem Lett20:6008-12 (2010) [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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BDBM50014323 |
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n/a |
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Name | BDBM50014323 |
Synonyms: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo[h]chromen-4-one | 7,8-Benzoflavone | CHEMBL283196 | alpha-naphthoflavone |
Type | Small organic molecule |
Emp. Form. | C19H12O2 |
Mol. Mass. | 272.2974 |
SMILES | O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 |
Structure |
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