Reaction Details |
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Target | Cytochrome P450 2A2 |
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Ligand | BDBM50004441 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_17 |
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IC50 | 728±n/a nM |
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Citation | Rotstein, DM; Kertesz, DJ; Walker, KA; Swinney, DC Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem35:2818-25 (1992) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2A2 |
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Name: | Cytochrome P450 2A2 |
Synonyms: | CP2A2_RAT | Cyp2a-2 | Cyp2a2 |
Type: | PROTEIN |
Mol. Mass.: | 56350.84 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_17 |
Residue: | 492 |
Sequence: | MLDTGLLLVVILASLSVMFLVSLWQQKIRERLPPGPTPLPFIGNYLQLNMKDVYSSITQL
SERYGPVFTIHLGPRRIVVLYGYDAVKEALVDQAEEFSGRGELPTFNILFKGYGFSLSNV
EQAKRIRRFTIATLRDFGVGKRDVQECILEEAGYLIKTLQGTCGAPIDPSIYLSKTVSNV
INSIVFGNRFDYEDKEFLSLLEMIDEMNIFAASATGQLYDMFHSVMKYLPGPQQQIIKVT
QKLEDFMIEKVRQNHSTLDPNSPRNFIDSFLIRMQEEKYVNSEFHMNNLVMSSLGLLFAG
TGSVSSTLYHGFLLLMKHPDVEAKVHEEIERVIGRNRQPQYEDHMKMPYTQAVINEIQRF
SNLAPLGIPRRIIKNTTFRGFFLPKGTDVFPIIGSLMTEPKFFPNHKDFNPQHFLDDKGQ
LKKNAAFLPFSIGKRFCLGDSLAKMELFLLLTTILQNFRFKFPMNLEDINEYPSPIGFTR
IIPNYTMSFMPI
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BDBM50004441 |
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n/a |
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Name | BDBM50004441 |
Synonyms: | (2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | CHEMBL328863 |
Type | Small organic molecule |
Emp. Form. | C26H28Cl2N4O4 |
Mol. Mass. | 531.431 |
SMILES | CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |
Structure |
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