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Drug-Target Interaction

Drug

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PubChem ID:3763
Structure:
Synonyms:
1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether
2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane
26675-46-7
AC-154802
AC1L1GNN
AErrane
AErrane (Veterinary)
AIDS-213021
AIDS213021
BRN 1852087
C07518
C3H2ClF5O
CCRIS 3043
CHEBI:6015
CHEMBL1256
Compound 469
D00545
D007530
DB00753
EINECS 247-897-7
Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-
Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl
Forane
Forane (TN)
Forene
I14-1303
IsoFlo
Isoflurane
Isoflurane (JP15/USP/INN)
Isoflurane (JP16/USP/INN)
Isoflurane [Anaesthetics, volatile]
Isoflurane [USAN:BAN:INN:JAN]
Isoflurane [USAN:INN:BAN:JAN]
Isoflurano
Isoflurano [INN-Spanish]
Isofluranum
Isofluranum [INN-Latin]
Jsp005223
LS-7462
NCGC00181037-01
NCGC00181037-02
R-E 235dal
ST51041445
UNII-CYS9AKD70P
ATC-Codes:
Side-Effects:
Side-EffectFrequency
hepatic necrosis0.0010
hepatic failure0.0010
arrhythmia0
vomiting0
increased salivation0
nausea0
malignant hyperthermia0
jaundice0
hypotension0
hyperkalemia0
hyperglycemia0
hiccup0
hepatitis0
hallucinations0
delirium0
cough0
excitement0

Target

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Uniprot ID:CP2E1_HUMAN
Synonyms:
4-nitrophenol 2-hydroxylase
CYPIIE1
Cytochrome P450 2E1
P450-J
EC-Numbers:1.14.13.-
1.14.13.n7
Organism:Homo sapiens
Human
PDB IDs:3E4E 3E6I
Structure:
3E6I

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----
----

References:

10078678
Clinical isoflurane metabolism by cytochrome P450 2E1.. E D Kharasch; D C Hankins; K Cox (1999) Anesthesiology display abstract
BACKGROUND: Some evidence suggests that isoflurane metabolism to trifluoroacetic acid and inorganic fluoride by human liver microsomes in vitro is catalyzed by cytochrome P450 2E1 (CYP2E1). This investigation tested the hypothesis that P450 2E1 predominantly catalyzes human isoflurane metabolism in vivo. Disulfiram, which is converted in vivo to a selective inhibitor of P450 2E1, was used as a metabolic probe for P450 2E1. METHODS: Twenty-two elective surgery patients who provided institutionally-approved written informed consent were randomized to receive disulfiram (500 mg orally, N = 12) or nothing (controls, N = 10) the evening before surgery. All patients received a standard isoflurane anesthetic (1.5% end-tidal in oxygen) for 8 hr. Urine and plasma trifluoroacetic acid and fluoride concentrations were quantitated in samples obtained for 4 days postoperatively. RESULTS: Patient groups were similar with respect to age, weight, gender, duration of surgery, blood loss, and delivered isoflurane dose, measured by cumulative end-tidal isoflurane concentrations (9.7-10.2 MAC-hr). Postoperative urine excretion of trifluoroacetic acid (days 1-4) and fluoride (days 1-3) was significantly (P
8214760