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DB01261 : sitagliptin

Approved drug sitagliptin ... 1 target DB01261

Generic name: sitagliptin PDB Het Group: 715
 
2 structures in PDB
Brand name(s): januvia, januvia (merck & co.), xelevia.
Formula: C16H15F6N5O
IUPAC Formula: (3r)-3-Amino-1-[3-(Trifluoromethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-A]pyrazin-7-Yl]-4-(2,4,5-
Trifluorophenyl)butan-1-One
PDB name: (2r)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]-1-(2,4,5-
Trifluorophenyl)butan-2-Amine

1
There is 1 target protein defined in DrugBank for this drug.
 1 
The target protein has one or more structures in the PDB.
 1 
There is 1 PDB structure of the drug molecule bound to its target protein.
 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: P27487 (DPP4_HUMAN)  -  Dipeptidyl peptidase 4
UniProt id: P27487    765 a.a.  
1x70 A,B   728 a.a. 727   X-ray 2.10 Å
The PDB contains 1 entry of sitagliptin bound to this target protein and 89 entries of this target protein in all (click on orange, plus icon for 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.

 

Other proteins with sitagliptin bound in the PDB

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

Protein 1:   UniProt id: P14740 ()  -  Dipeptidyl peptidase 4 OS=Rattus norvegicus GN=Dpp4 PE=1 SV=2
UniProt id: P14740    766 a.a.  
4ffw A,B   727 a.a. 727   X-ray 2.90 Å
The PDB contains 1 entry of sitagliptin 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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