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DB05294 : vandetanib

Approved drug vandetanib ... 4 targets DB05294

Generic name: vandetanib PDB Het Group: ZD6
 
1 structure in PDB
Brand name(s): caprelsa, zactima, zictifa.
Formula: C22H24Brfn4O2
IUPAC Formula: N-(4-Bromo-2-Fluorophenyl)-6-Methoxy-7-[(1-Methylpiperidin-4-Yl)methoxy]quinazolin-4-Amine
PDB name: 4-Bromo-2-Fluoro-N-[(4e)-6-Methoxy-7-[(1-Methylpiperidin-4-Yl)methoxy]quinazolin-4(1h)-
Ylidene]aniline

4
There are 4 target proteins defined in DrugBank for this drug.
 4 
4 of these target proteins have one or more structures in the PDB.
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Target proteins

DrugBank drug Target 1:   UniProt id: P15692 (VEGFA_HUMAN)  -  Vascular endothelial growth factor A
UniProt id: P15692    231 a.a.  
1. 1kat V,W     99 a.a. 99   NMR  
  2. 2fjh V,W     98 a.a. 98   X-ray 3.10 Å
  3. 2vpf A,B,C,D,...     97 a.a. 97   X-ray 1.93 Å
  4. 3qtk A,D,B,C,...     96 a.a. 96   X-ray 1.85 Å
  5. 1vpp V     96 a.a. 96   X-ray 1.90 Å
   more ...
There are no PDB entries containing vandetanib bound to this target protein, although there are 29 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P00533 (EGFR_HUMAN)  -  Epidermal growth factor receptor
UniProt id: P00533    1209 a.a.  
1. 3qwq A     613 a.a. 613   X-ray 2.75 Å
  2. 3njp A,B     614 a.a. 613   X-ray 3.30 Å
  3. 1nql A     612 a.a. 611   X-ray 2.80 Å
  4. 1yy9 A     613 a.a. 610   X-ray 2.60 Å
  5. 4kro A     570 a.a. 570   X-ray 3.05 Å
   more ...
There are no PDB entries containing vandetanib bound to this target protein, although there are 99 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: Q13882 (PTK6_HUMAN)  -  Protein-tyrosine kinase 6
UniProt id: Q13882    450 a.a.  
1. 1rja A     100 a.a. 100   NMR  
  2. 2kgt A     72 a.a. 71   NMR  
There are no PDB entries containing vandetanib bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: Q02763 (TIE2_HUMAN)  -  Angiopoietin-1 receptor
  No Pfam domain assignments available for this protein.
1. 4k0v A     514 a.a. 513   X-ray 4.51 Å
  2. 2gy5 A     423 a.a. 422   X-ray 2.90 Å
  3. 2gy7 B     423 a.a. 422   X-ray 3.70 Å
  4. 1fvr A,B     299 a.a. 299   X-ray 2.20 Å
  5. 3l8p A     292 a.a. 292   X-ray 2.40 Å
   more ...
There are no PDB entries containing vandetanib bound to this target protein, although there are 10 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.

 

 

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