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DB06813 : pralatrexate

Approved drug pralatrexate ... 2 targets DB06813

Generic name: pralatrexate
 
Brand name(s): folotyn.
Formula: C23H23N7O5
IUPAC Formula: (2s)-2-({4-[1-(2,4-Diaminopteridin-6-Yl)pent-4-Yn-2-Yl]phenyl}formamido)pentanedioic acid

2
There are 2 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
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Target proteins

DrugBank drug Target 1:   UniProt id: P00374 (DYR_HUMAN)  -  Dihydrofolate reductase
UniProt id: P00374    186 a.a.  
1. 1kmv A     186 a.a. 186   X-ray 1.05 Å
  2. 3fs6 A     186 a.a. 186   X-ray 1.23 Å
  3. 3ghw A     186 a.a. 186   X-ray 1.24 Å
  4. 3ntz A     186 a.a. 186   X-ray 1.35 Å
  5. 3nu0 A     186 a.a. 186   X-ray 1.35 Å
   more ...
There are no PDB entries containing pralatrexate bound to this target protein, although there are 63 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P04818 (TYSY_HUMAN)  -  Thymidylate synthase
UniProt id: P04818    312 a.a.  
1. 1hvy A,B,C,D     287 a.a. 286   X-ray 1.90 Å
  2. 1ju6 A,B,C,D     286 a.a. 285   X-ray 2.89 Å
  3. 1juj A,B,C,D     286 a.a. 285   X-ray 3.00 Å
  4. 3gg5 A,B,C,D     283 a.a. 283   X-ray 2.77 Å
  5. 3ejl A,B,C,D     283 a.a. 283   X-ray 3.20 Å
   more ...
There are no PDB entries containing pralatrexate bound to this target protein, although there are 36 entries of the target protein (click the orange, plus icon for a list).

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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