| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2E1 |
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| Ligand | BDBM50549522 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2025117 (CHEMBL4678930) |
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| IC50 | >10000±n/a nM |
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| Citation |  Lei, Y; Zhang, B; Liu, D; Zhao, J; Dai, X; Gao, J; Mao, Q; Feng, Y; Zhao, J; Lin, F; Duan, Y; Zhang, Y; Bao, Z; Yang, Y; Mou, Y; Wang, S Switching a Xanthine Oxidase Inhibitor to a Dual-Target Antagonist of P2Y J Med Chem63:15752-15772 (2020) [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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| BDBM50549522 |
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| n/a |
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| Name | BDBM50549522 |
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| Synonyms: | CHEMBL4786038 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H14N4O3 |
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| Mol. Mass. | 358.3502 |
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| SMILES | Cc1nc(-c2cccc(c2)C#N)n(OCc2ccc(cc2)C#N)c1C(O)=O |
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| Structure | 
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