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Target
Cytochrome P450 2E1
Ligand
BDBM50517497
Substrate
n/a
Meas. Tech.
ChEMBL_1869180 (CHEMBL4370246)
IC50
>10000±n/a nM
Citation
 Nirogi, R; Shinde, A; Mohammed, AR; Badange, RK; Reballi, V; Bandyala, TR; Saraf, SK; Bojja, K; Manchineella, S; Achanta, PK; Kandukuri, KK; Subramanian, R; Benade, V; Palacharla, RC; Jayarajan, P; Pandey, S; Jasti, V Discovery and Development of N-[4-(1-Cyclobutylpiperidin-4-yloxy)phenyl]-2-(morpholin-4-yl)acetamide Dihydrochloride (SUVN-G3031): A Novel, Potent, Selective, and Orally Active Histamine H J Med Chem 62:1203-1217 (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:
BDBM50517497
Synonyms:
CHEMBL4593911
Type:
Small organic molecule
Emp. Form.:
C21H33Cl2N3O3
Mol. Mass.:
446.411
SMILES:
Cl.Cl.O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
Structure:
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