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DB05521 : telaprevir

Approved drug telaprevir ... 1 target DB05521

Generic name: telaprevir PDB Het Group: SV6
 
4 structures in PDB
Brand name(s): incivek.
Formula: C36H53N7O6
IUPAC Formula: (3s)-3-{[(1s,3ar,6as)-2-[(2s)-2-[(2s)-2-Cyclohexyl-2-(Pyrazin-2-Ylformamido)acetamido]-3,3-
Dimethylbutanoyl]-Octahydrocyclopenta[c]pyrrol-1-Yl]formamido}-N-Cyclopropyl-2-Oxohexanamide
PDB name: None

1
There is 1 target protein defined in DrugBank for this drug.
 4 
There are 4 PDB structures 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: B0B3C9 (B0B3C9_9HEPC)  -  Hepatitis C virus NS3-4A serine protease
  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)

Key:  

 

Other proteins with telaprevir bound in the PDB

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

Protein 1:   UniProt id: A8DG50 ()  -  Genome polyprotein OS=Hepatitis C virus subtype 1a PE=1 SV=2
UniProt id: A8DG50    3010 a.a.  
1. 3sv6 A   202 a.a. 171   X-ray 1.40 Å
  2. 3sv8 A   193 a.a. 170   X-ray 2.50 Å
  3. 3sv7 A   201 a.a. 169   X-ray 1.55 Å
  4. 3sv9 A   199 a.a. 169   X-ray 1.60 Å
The PDB contains 4 entries of telaprevir 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.

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

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