| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2E1 |
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| Ligand | BDBM50341409 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1734947 (CHEMBL4150483) |
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| IC50 | >10000±n/a nM |
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| Citation |  Lin, S; Wang, C; Ji, M; Wu, D; Lv, Y; Zhang, K; Dong, Y; Jin, J; Chen, J; Zhang, J; Sheng, L; Li, Y; Chen, X; Xu, H Discovery and Optimization of 2-Amino-4-methylquinazoline Derivatives as Highly Potent Phosphatidylinositol 3-Kinase Inhibitors for Cancer Treatment. J Med Chem61:6087-6109 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2E1 |
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| Name: | Cytochrome P450 2E1 |
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| Synonyms: | CP2E1_HUMAN | CYP2E | CYP2E1 | Cytochrome P450 2E1 (CYP2E1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 56860.34 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05181 |
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| Residue: | 493 |
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| Sequence: | MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRL
AQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGP
TWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVI
ADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVA
EVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAG
TETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRF
ITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGK
FKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGC
IPPRYKLCVIPRS
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| BDBM50341409 |
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| n/a |
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| Name | BDBM50341409 |
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| Synonyms: | CHEMBL4176771 | US11534443, Example 9 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H23F2N5O5S |
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| Mol. Mass. | 543.542 |
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| SMILES | COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(O[C@@H]2CCOC2)c2nc(N)nc(C)c2c1 |r| |
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| Structure | 
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