Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50236897 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1655298 (CHEMBL4004664) |
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IC50 | 6290±n/a nM |
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Citation | Metcalf, B; Chuang, C; Dufu, K; Patel, MP; Silva-Garcia, A; Johnson, C; Lu, Q; Partridge, JR; Patskovska, L; Patskovsky, Y; Almo, SC; Jacobson, MP; Hua, L; Xu, Q; Gwaltney, SL; Yee, C; Harris, J; Morgan, BP; James, J; Xu, D; Hutchaleelaha, A; Paulvannan, K; Oksenberg, D; Li, Z Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett8:321-326 (2017) [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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BDBM50236897 |
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n/a |
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Name | BDBM50236897 |
Synonyms: | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione | CHEMBL405845 | US9180183, Furafylline | furafylline |
Type | Small organic molecule |
Emp. Form. | C12H12N4O3 |
Mol. Mass. | 260.2487 |
SMILES | Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1 |
Structure |
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