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DB00753 : isoflurane

Approved drug isoflurane ... 7 targets DB00753

Generic name: isoflurane PDB Het Group: ICF
 
2 structures in PDB
Brand name(s): aerrane, ethane, forane, forene, isoflurane [usan:ban:inn:jan], isofluranum [inn-latin].
Formula: C3H2Clf5O
IUPAC Formula: 2-Chloro-2-(Difluoromethoxy)-1,1,1-Trifluoroethane
PDB name: 1-Chloro-2,2,2-Trifluoroethyl difluoromethyl ether

7
There are 7 target proteins defined in DrugBank for this drug.
 3 
3 of these target proteins have one or more structures in the PDB.
 1 
There is 1 PDB structure containing the drug molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank drug Target 1:   UniProt id: P14867 (GBRA1_HUMAN)  -  Gamma-aminobutyric-acid receptor subunit alpha-1
UniProt id: P14867    456 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 2:   UniProt id: P98194 (AT2C1_HUMAN)  -  Calcium-transporting ATPase type 2C member 1
UniProt id: P98194    919 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 3:   UniProt id: P23415 (GLRA1_HUMAN)  -  Glycine receptor subunit alpha-1
UniProt id: P23415    456 a.a.  
1. 2m6b A     150 a.a. 129   NMR  
  2. 2m6i A,B,C,D,E     150 a.a. 129   NMR  
  3. 1vry A     61 a.a. 58   NMR  
  4. 1zhd A     61 a.a. 58   NMR  
  5. 1mot A     28 a.a. 28   NMR  
There are no PDB entries containing isoflurane bound to this target protein, although there are 5 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: P42261 (GRIA1_HUMAN)  -  Glutamate receptor 1
UniProt id: P42261    906 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 5:   UniProt id: Q09470 (KCNA1_HUMAN)  -  Potassium voltage-gated channel subfamily A member 1
UniProt id: Q09470    494 a.a.  
2afl A,B,C,D     82 a.a. 82   Theor. model
There are no PDB entries containing isoflurane bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 6:   UniProt id: P30049 (ATPD_HUMAN)  -  ATP synthase delta chain, mitochondrial
UniProt id: P30049    168 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 7:   UniProt id: P62158 (CALM_HUMAN)  -  Calmodulin
UniProt id: P62158    148 a.a.  
1. 4djc A     151 a.a. 148   X-ray 1.35 Å
  2. 2jzi A     148 a.a. 148   NMR  
  3. 2k0e A     148 a.a. 148   NMR  
  4. 2kne A     148 a.a. 148   NMR  
  5. 2l53 A     148 a.a. 148   NMR  
   more ...
There are no PDB entries containing isoflurane bound to this target protein, although there are 90 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

Other proteins with isoflurane bound in the PDB

There is 1 "non-target" protein in the PDB containing the isoflurane molecule bound. That is, the UniProt code for the protein is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: P02791 ()  -  Ferritin light chain OS=Equus caballus GN=FTL PE=1 SV=4
UniProt id: P02791    174 a.a.  
1xz3 A   168 a.a. 168   X-ray 1.75 Å
The PDB contains 1 entry of isoflurane bound to this protein

Key:    PfamA domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

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