Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50519636 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1877256 (CHEMBL4378650) |
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IC50 | 5400±n/a nM |
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Citation | Chatzopoulou, M; Claridge, TDW; Davies, KE; Davies, SG; Elsey, DJ; Emer, E; Fletcher, AM; Harriman, S; Robinson, N; Rowley, JA; Russell, AJ; Tinsley, JM; Weaver, R; Wilkinson, IVL; Willis, NJ; Wilson, FX; Wynne, GM Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2- J Med Chem63:2547-2556 (2020) [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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BDBM50519636 |
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n/a |
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Name | BDBM50519636 |
Synonyms: | BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1100 | Smt c1100 |
Type | Small organic molecule |
Emp. Form. | C19H15NO3S |
Mol. Mass. | 337.392 |
SMILES | CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1 |
Structure |
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