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Target
Cytochrome P450 2E1
Ligand
BDBM50531732
Substrate
n/a
Meas. Tech.
ChEMBL_1920786 (CHEMBL4423631)
IC50
>100000±n/a nM
Citation
 de Moura Sperotto, ND; Deves Roth, C; Rodrigues-Junior, VS; Ev Neves, C; Reisdorfer Paula, F; da Silva Dadda, A; Bergo, P; Freitas de Freitas, T; Souza Macchi, F; Moura, S; Duarte de Souza, AP; Campos, MM; Valim Bizarro, C; Santos, DS; Basso, LA; Machado, P Design of Novel Inhibitors of Human Thymidine Phosphorylase: Synthesis, Enzyme Inhibition, in Vitro Toxicity, and Impact on Human Glioblastoma Cancer. J Med Chem 62:1231-1245 (2019) [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:
BDBM50531732
Synonyms:
CHEMBL4455140
Type:
Small organic molecule
Emp. Form.:
C8H12IN3O4
Mol. Mass.:
341.1031
SMILES:
OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I
Structure:
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