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DB00679 : thioridazine

Approved drug thioridazine ... 6 targets DB00679

Generic name: thioridazine PDB Het Group: LZU
 
1 structure in PDB
Brand name(s): aldazine, mallorol, malloryl, meleril, mellaril, mellaril hydrochloride, mellaril-s, mellarit, mellerets, mellerette, melleretten, melleril, metlaril, novoridazine, orsanil, ridazin, ridazine, sonapax, sonapax hydrochloride, stalleril, thioridazine hcl intensol, thioridazine, prolongatum, tioridazin.
Formula: C21H26N2S2
IUPAC Formula: 10-[2-(1-Methylpiperidin-2-Yl)ethyl]-2-(Methylsulfanyl)-10h-Phenothiazine
PDB name: 10-{2-[(2s)-1-Methylpiperidin-2-Yl]ethyl}-2-(Methylsulfanyl)-10h-Phenothiazine

6
There are 6 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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Information  
Pharmacology
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Target proteins

DrugBank drug Target 1:   UniProt id: P14416 (DRD2_HUMAN)  -  D(2) dopamine receptor
UniProt id: P14416    442 a.a.  
1. 1i15 A     25 a.a. 25   Theor. model
  2. 2you B,C     14 a.a. 13   X-ray 2.19 Å
  3. 5aer B,C     14 a.a. 13   X-ray 2.19 Å
There are no PDB entries containing thioridazine bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P21728 (DRD1_HUMAN)  -  D(1A) dopamine receptor
UniProt id: P21728    445 a.a.  
1oz5 A     322 a.a. 322   Theor. model
There are no PDB entries containing thioridazine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 3:   UniProt id: P35348 (ADA1A_HUMAN)  -  Alpha-1A adrenergic receptor
UniProt id: P35348    466 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: P35368 (ADA1B_HUMAN)  -  Alpha-1B adrenergic receptor
UniProt id: P35368    520 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: P28223 (5HT2A_HUMAN)  -  5-hydroxytryptamine 2A receptor
UniProt id: P28223    471 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: Q12809 (KCNH2_HUMAN)  -  Potassium voltage-gated channel subfamily H member 2
UniProt id: Q12809    1158 a.a.  
1. 2l0w A     135 a.a. 134   NMR  
  2. 2l1m A     135 a.a. 134   NMR  
  3. 2l4r A     135 a.a. 134   NMR  
  4. 4hp9 A     119 a.a. 119   X-ray 2.12 Å
  5. 4hqa A     110 a.a. 110   X-ray 1.96 Å
   more ...
There are no PDB entries containing thioridazine bound to this target protein, although there are 8 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 thioridazine bound in the PDB

There is 1 "non-target" protein in the PDB containing the thioridazine 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: Q9UDY8 ()  -  Mucosa-associated lymphoid tissue lymphoma translocation protein 1 OS=Homo sapiens GN=MALT1 PE=1 SV=1
UniProt id: Q9UDY8    823 a.a.  
4i1r A   353 a.a. 351   X-ray 2.70 Å
The PDB contains 1 entry of thioridazine 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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