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Target
Cytochrome P450 2E1
Ligand
BDBM50549522
Substrate
n/a
Meas. Tech.
ChEMBL_2025117 (CHEMBL4678930)
IC50
>10000±n/a nM
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 Chem 63:15752-15772 (2020) [PubMed]  Article 
Target
Name:
Cytochrome P450 2E1
Synonyms:
CP2E1_HUMAN | CYP2E | CYP2E1 | Cytochrome P450 2E1 (CYP2E1)
Type:
Enzyme
Mol. Mass.:
56860.34
Organism:
Homo sapiens (Human)
Description:
P05181
Residue:
493
Sequence:
MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRLAQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGPTWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVIADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVAEVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRFITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGKFKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGCIPPRYKLCVIPRS
  
Inhibitor
Name:
BDBM50549522
Synonyms:
CHEMBL4786038
Type:
Small organic molecule
Emp. Form.:
C20H14N4O3
Mol. Mass.:
358.3502
SMILES:
Cc1nc(-c2cccc(c2)C#N)n(OCc2ccc(cc2)C#N)c1C(O)=O
Structure:
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