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Target
Cytochrome P450 2E1
Ligand
BDBM50438845
Substrate
n/a
Meas. Tech.
ChEMBL_977234 (CHEMBL2416905)
IC50
>20000±n/a nM
Citation
 Tukulula, M; Njoroge, M; Mugumbate, GC; Gut, J; Rosenthal, PJ; Barteau, S; Streckfuss, J; Heudi, O; Kameni-Tcheudji, J; Chibale, K Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents. Bioorg Med Chem 21:4904-13 (2013) [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:
BDBM50438845
Synonyms:
CHEMBL2413882
Type:
Small organic molecule
Emp. Form.:
C25H28ClN7
Mol. Mass.:
461.99
SMILES:
CC(C)(C)n1nnnc1C(N1CCCC1)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1
Structure:
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