spacer
spacer

Search 

DB01303 : oxtriphylline

Approved drug oxtriphylline ... 5 targets DB01303

Generic name: oxtriphylline
 
Brand name(s): choledyl sa, choledyl, theocolin.
Formula: C12H21N5O3
IUPAC Formula: (2-Hydroxyethyl)trimethylazanium; 1,3-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1h-Purin-7-Ide

5
There are 5 target proteins defined in DrugBank for this drug.
 4 
4 of these target proteins have one or more structures in the PDB.
Links  
DrugBank
KEGG drug
PubChem
Information  
Pharmacology
Indication
Action

 

Target proteins

DrugBank drug Target 1:   UniProt id: Q14432 (PDE3A_HUMAN)  -  CGMP-inhibited 3',5'-cyclic phosphodiesterase A
UniProt id: Q14432    1140 a.a.  
1lrc A     206 a.a. 206   Theor. model
There are no PDB entries containing oxtriphylline 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: P27815 (PDE4A_HUMAN)  -  CAMP-specific 3',5'-cyclic phosphodiesterase 4A
UniProt id: P27815    885 a.a.  
1. 2qyk A,B     334 a.a. 333   X-ray 2.10 Å
  2. 3tvx A,B     334 a.a. 333   X-ray 2.84 Å
  3. 3i8v A,B     334 a.a. 331   X-ray 2.25 Å
There are no PDB entries containing oxtriphylline 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 3:   UniProt id: P29274 (AA2AR_HUMAN)  -  Adenosine A2a receptor
UniProt id: P29274    411 a.a.  
1. 1upe A     304 a.a. 303   Theor. model
  2. 2ydv A     315 a.a. 302   X-ray 2.60 Å
  3. 3vg9 A     297 a.a. 297   X-ray 2.70 Å
  4. 2ydo A     309 a.a. 297   X-ray 3.00 Å
  5. 3vga A     296 a.a. 296   X-ray 3.10 Å
   more ...
There are no PDB entries containing oxtriphylline bound to this target protein, although there are 14 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: P30542 (AA1R_HUMAN)  -  Adenosine A1 receptor
  No Pfam domain assignments available for this protein.
 
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: Q92769 (HDAC2_HUMAN)  -  Histone deacetylase 2
UniProt id: Q92769    487 a.a.  
1. 4ly1 A,B,C     368 a.a. 368   X-ray 1.57 Å
  2. 4lxz A,B,C     368 a.a. 368   X-ray 1.85 Å
  3. 3max A,B,C     367 a.a. 366   X-ray 2.05 Å
There are no PDB entries containing oxtriphylline bound to this target protein, although there are 3 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.

 

 

Structure selection

Use the checkboxes above to select the structure(s) of interest, and then press the required button below to view:
View 3D structure
Select preferred viewer and click on 3D struct button
AstexViewer™@MSD-EBI
RasMol
STRAP multiple alignment viewer
LIGPLOT diagrams
Press button below for LIGPLOT diagrams of drug-protein interactions in all selected structures above.

  spacer

spacer