Reaction Details |
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Target | Cytochrome P450 1A2 |
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Ligand | BDBM50237769 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1661844 (CHEMBL4011456) |
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IC50 | >50000±n/a nM |
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Citation | Qiu, Z; Lin, X; Zhang, W; Zhou, M; Guo, L; Kocer, B; Wu, G; Zhang, Z; Liu, H; Shi, H; Kou, B; Hu, T; Hu, Y; Huang, M; Yan, SF; Xu, Z; Zhou, Z; Qin, N; Wang, YF; Ren, S; Qiu, H; Zhang, Y; Zhang, Y; Wu, X; Sun, K; Zhong, S; Xie, J; Ottaviani, G; Zhou, Y; Zhu, L; Tian, X; Shi, L; Shen, F; Mao, Y; Zhou, X; Gao, L; Young, JAT; Wu, JZ; Yang, G; Mayweg, AV; Shen, HC; Tang, G; Zhu, W Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors. J Med Chem60:3352-3371 (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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BDBM50237769 |
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n/a |
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Name | BDBM50237769 |
Synonyms: | CHEMBL4064672 |
Type | Small organic molecule |
Emp. Form. | C21H20ClFN4O5S |
Mol. Mass. | 494.924 |
SMILES | COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18| |
Structure |
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