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DB00599 : thiopental

Approved drug thiopental ... 11 targets DB00599

Generic name: thiopental PDB Het Group: EDP
 
1 structure in PDB
Brand name(s): farmotal, intraval, nesdonal, thiothal, trapanal.
Formula: C11H18N2O2S
IUPAC Formula: 5-Ethyl-5-(Pentan-2-Yl)-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
PDB name: 5-Ethyl-5-[(2r)-Pentan-2-Yl]-2-Thioxodihydropyrimidine-4,6(1h,5h)-Dione

11
There are 11 target proteins defined in DrugBank for this drug.
 4 
4 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: Q13002 (GRIK2_HUMAN)  -  Glutamate receptor, ionotropic kainate 2
UniProt id: Q13002    907 a.a.  
3qxm A,B     250 a.a. 250   X-ray 1.65 Å
There are no PDB entries containing thiopental bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 2:   UniProt id: O00519 (FAAH1_HUMAN)  -  Fatty-acid amide hydrolase
UniProt id: O00519    579 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: 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 4:   UniProt id: P47869 (GBRA2_HUMAN)  -  Gamma-aminobutyric-acid receptor subunit alpha-2
UniProt id: P47869    451 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: P34903 (GBRA3_HUMAN)  -  Gamma-aminobutyric-acid receptor subunit alpha-3
UniProt id: P34903    492 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 6:   UniProt id: P48169 (GBRA4_HUMAN)  -  Gamma-aminobutyric-acid receptor subunit alpha-4
UniProt id: P48169    554 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: P31644 (GBRA5_HUMAN)  -  Gamma-aminobutyric-acid receptor subunit alpha-5
UniProt id: P31644    462 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 8:   UniProt id: Q16445 (GBRA6_HUMAN)  -  Gamma-aminobutyric-acid receptor subunit alpha-6
UniProt id: Q16445    453 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 9:   UniProt id: P43681 (ACHA4_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-4
UniProt id: P43681    626 a.a.  
1. 2gvt A,C     204 a.a. 204   Theor. model
  2. 2lly A     134 a.a. 98   NMR  
There are no PDB entries containing thiopental bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 10:   UniProt id: P36544 (ACHA7_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-7
UniProt id: P36544    501 a.a.  
2maw A     134 a.a. 93   NMR  
There are no PDB entries containing thiopental bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 11:   UniProt id: P42262 (GRIA2_HUMAN)  -  Glutamate receptor 2
UniProt id: P42262    882 a.a.  
1. 2wjw A     368 a.a. 368   X-ray 1.80 Å
  2. 2wjx A,B,C     363 a.a. 363   X-ray 4.10 Å
  3. 3r7x A,B     259 a.a. 258   X-ray 2.10 Å
  4. 3rnn A,B,C     259 a.a. 257   X-ray 1.75 Å
  5. 3rn8 A,B,C     258 a.a. 256   X-ray 1.70 Å
   more ...
There are no PDB entries containing thiopental bound to this target protein, although there are 7 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

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

 

Other proteins with thiopental bound in the PDB

There is 1 "non-target" protein in the PDB containing the thiopental 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.  
3rd0 A   168 a.a. 168   X-ray 2.00 Å
The PDB contains 1 entry of thiopental 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.

 

Structure selection

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