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Target
Cytochrome P450 2E1
Ligand
BDBM50592756
Substrate
n/a
Meas. Tech.
ChEMBL_2205317 (CHEMBL5118025)
Ki
195700±n/a nM
Citation
 Li, Y; Liu, Y; Chen, Y; Wang, K; Luan, Y Design, synthesis and antitumor activity study of a gemcitabine prodrug conjugated with a HDAC6 inhibitor. Bioorg Med Chem Lett 72:0 (2022) [PubMed] 
Target
Name:
Cytochrome P450 2E1
Synonyms:
4-nitrophenol 2-hydroxylase | CP2E1_RAT | CYPIIE1 | Cyp2e | Cyp2e-1 | Cyp2e1
Type:
Enzyme
Mol. Mass.:
56637.32
Organism:
Rattus norvegicus (rat)
Description:
CYP2E1 prepared from rat liver microsomes was used in enzyme assays.
Residue:
493
Sequence:
MAVLGITIALLVWVATLLVISIWKQIYNSWNLPPGPFPLPILGNIFQLDLKDIPKSFTKLAKRFGPVFTLHLGSRRIVVLHGYKAVKEVLLNHKNEFSGRGDIPVFQEYKNKGIIFNNGPTWKDVRRFSLSILRDWGMGKQGNEARIQREAQFLVEELKKTKGQPFDPTFLIGCAPCNVIADILFNKRFDYNDKKCLRLMSLFNENFYLLSTPWIQLYNNFADYLRYLPGSHRKIMKNVSEIKQYTLEKAKEHLQSLDINCARDVTDCLLIEMEKEKHSQEPMYTMENVSVTLADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRVPAVRDRLDMPYMDAVVHEIQRFINLVPSNLPHEATRDTVFQGYVIPKGTVVIPTLDSLLYDSHEFPDPEKFKPEHFLNENGKFKYSDYFKAFSAGKRVCVGEGLARMELFLLLSAILQHFNLKSLVDPKDIDLSPVTVGFGSIPPQFKLCVIPRS
  
Inhibitor
Name:
BDBM50592756
Synonyms:
CHEMBL5182450
Type:
Small organic molecule
Emp. Form.:
C24H39F2N3O5
Mol. Mass.:
487.5804
SMILES:
CCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |r|
Structure:
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