| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50041457 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_494883 (CHEMBL949433) |
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| IC50 | 15000±n/a nM |
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| Citation |  O'Neill, PM; Park, BK; Shone, AE; Maggs, JL; Roberts, P; Stocks, PA; Biagini, GA; Bray, PG; Gibbons, P; Berry, N; Winstanley, PA; Mukhtar, A; Bonar-Law, R; Hindley, S; Bambal, RB; Davis, CB; Bates, M; Hart, TK; Gresham, SL; Lawrence, RM; Brigandi, RA; Gomez-delas-Heras, FM; Gargallo, DV; Ward, SA Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century. J Med Chem52:1408-15 (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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM50041457 |
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| n/a |
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| Name | BDBM50041457 |
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| Synonyms: | 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol | AMODIAQUINE | CHEMBL682 | med.21724, Compound 188 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22ClN3O |
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| Mol. Mass. | 355.861 |
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| SMILES | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O |
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| Structure | 
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