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DB01136 : carvedilol

Approved drug carvedilol ... 9 targets DB01136

Generic name: carvedilol PDB Het Group: CVD
 
1 structure in PDB
Brand name(s): coreg, coreg cr.
Formula: C24H26N2O4
IUPAC Formula: [3-(9h-Carbazol-4-Yloxy)-2-Hydroxypropyl][2-(2-Methoxyphenoxy)ethyl]amine
PDB name: (2s)-1-(8h-Carbazol-4-Yloxy)-3-[2-(2-Methoxyphenoxy)ethylamino]propan-2-Ol

9
There are 9 target proteins defined in DrugBank for this drug.
 7 
7 of these target proteins have one or more structures in the PDB.
 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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Pharmacology
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Target proteins

DrugBank drug Target 1:   UniProt id: P08588 (ADRB1_HUMAN)  -  Beta-1 adrenergic receptor
UniProt id: P08588    476 a.a.  
2lsq A     25 a.a. 19   NMR  
There are no PDB entries containing carvedilol 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: P35348 (ADA1A_HUMAN)  -  Alpha-1A adrenergic receptor
UniProt id: P35348    466 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 3:   UniProt id: O95298 (NDUC2_HUMAN)  -  NADH dehydrogenase [ubiquinone] 1 subunit C2
UniProt id: O95298    119 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 4:   UniProt id: P07550 (ADRB2_HUMAN)  -  Beta-2 adrenergic receptor
UniProt id: P07550    412 a.a.  
1. 3pds A     442 a.a. 292   X-ray 3.50 Å
  2. 4gbr A     286 a.a. 283   X-ray 3.99 Å
  3. 3kj6 A     222 a.a. 222   X-ray 3.40 Å
  4. 2r4r A     216 a.a. 216   X-ray 3.40 Å
  5. 2r4s A     216 a.a. 216   X-ray 3.40 Å
   more ...
There are no PDB entries containing carvedilol bound to this target protein, although there are 16 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 5:   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 carvedilol 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 6:   UniProt id: P16860 (ANFB_HUMAN)  -  Natriuretic peptides B
UniProt id: P16860    133 a.a.  
1yk1 E     21 a.a. 21   X-ray 2.90 Å
There are no PDB entries containing carvedilol bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 7:   UniProt id: P17302 (CXA1_HUMAN)  -  Gap junction alpha-1 protein
UniProt id: P17302    381 a.a.  
2ll2 A     26 a.a. 26   NMR  
There are no PDB entries containing carvedilol bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 8:   UniProt id: Q12809 (KCNH2_HUMAN)  -  Potassium voltage-gated channel subfamily H member 2
UniProt id: Q12809    1158 a.a.  
1. 2l0w A     135 a.a. 134   NMR  
  2. 2l1m A     135 a.a. 134   NMR  
  3. 2l4r A     135 a.a. 134   NMR  
  4. 4hp9 A     119 a.a. 119   X-ray 2.12 Å
  5. 4hqa A     110 a.a. 110   X-ray 1.96 Å
   more ...
There are no PDB entries containing carvedilol bound to this target protein, although there are 8 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 9:   UniProt id: P19320 (VCAM1_HUMAN)  -  Vascular cell adhesion protein 1
UniProt id: P19320    738 a.a.  
1. 1vca A,B     199 a.a. 199   X-ray 1.80 Å
  2. 1ij9 A     196 a.a. 196   X-ray 3.00 Å
  3. 1vsc A,B     196 a.a. 195   X-ray 1.90 Å
There are no PDB entries containing carvedilol 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.

 

Other proteins with carvedilol bound in the PDB

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

Protein 1:   UniProt id: P07700 ()  -  Beta-1 adrenergic receptor OS=Meleagris gallopavo GN=ADRB1 PE=1 SV=1
UniProt id: P07700    482 a.a.  
4amj A,B   287 a.a. 278   X-ray 2.30 Å
The PDB contains 1 entry of carvedilol bound to this protein

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.

 

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