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DB01244 : bepridil

Approved drug bepridil ... 9 targets DB01244

Generic name: bepridil PDB Het Group: BEP
 
2 structures in PDB
Brand name(s): vascor.
Formula: C24H34N2O
IUPAC Formula: N-Benzyl-N-[3-(2-Methylpropoxy)-2-(Pyrrolidin-1-Yl)propyl]aniline
PDB name: 1-Isobutoxy-2-Pyrrolidino-3[n-Benzylanilino] propane

9
There are 9 target proteins defined in DrugBank for this drug.
 6 
6 of these target proteins have 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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Pharmacology
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Target proteins

DrugBank drug Target 1:   UniProt id: O00555 (CAC1A_HUMAN)  -  Voltage-dependent P/Q-type calcium channel subunit alpha-1A
UniProt id: O00555    2504 a.a.  
3bxk B     17 a.a. 17   X-ray 2.55 Å
There are no PDB entries containing bepridil 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: O95180 (CAC1H_HUMAN)  -  Voltage-dependent T-type calcium channel subunit alpha-1H
UniProt id: O95180    2353 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: Q9NY47 (CA2D2_HUMAN)  -  Voltage-dependent calcium channel subunit alpha-2/delta-2
UniProt id: Q9NY47    1150 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: P05023 (AT1A1_HUMAN)  -  Sodium/potassium-transporting ATPase alpha-1 chain
UniProt id: P05023    1023 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 5:   UniProt id: P51787 (KCNQ1_HUMAN)  -  Potassium voltage-gated channel subfamily KQT member 1
UniProt id: P51787    675 a.a.  
1. 3bj4 A     37 a.a. 37   X-ray 2.00 Å
  2. 3hfe A     27 a.a. 27   X-ray 1.70 Å
  3. 3hfc A     27 a.a. 25   X-ray 2.45 Å
There are no PDB entries containing bepridil bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 6:   UniProt id: P63316 (TNNC1_HUMAN)  -  Troponin C, slow skeletal and cardiac muscles
UniProt id: P63316    160 a.a.  
1lxf C   89 a.a. 88   NMR  
The PDB contains 1 entry of bepridil bound to this target protein and 30 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 7:   UniProt id: P62158 (CALM_HUMAN)  -  Calmodulin
UniProt id: P62158    148 a.a.  
1. 4djc A     151 a.a. 148   X-ray 1.35 Å
  2. 2jzi A     148 a.a. 148   NMR  
  3. 2k0e A     148 a.a. 148   NMR  
  4. 2kne A     148 a.a. 148   NMR  
  5. 2l53 A     148 a.a. 148   NMR  
   more ...
There are no PDB entries containing bepridil bound to this target protein, although there are 88 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 8:   UniProt id: Q01064 (PDE1B_HUMAN)  -  Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
UniProt id: Q01064    535 a.a.  
1. 4npv A     323 a.a. 323   X-ray 2.40 Å
  2. 4npw A     321 a.a. 321   X-ray 1.90 Å
  3. 1taz A     321 a.a. 320   X-ray 1.77 Å
  4. 1lxr A     304 a.a. 304   Theor. model
There are no PDB entries containing bepridil bound to this target protein, although there are 4 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 9:   UniProt id: P54750 (PDE1A_HUMAN)  -  Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
UniProt id: P54750    534 a.a.  
1lxq A     279 a.a. 279   Theor. model
There are no PDB entries containing bepridil bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

Other proteins with bepridil bound in the PDB

There is 1 "non-target" protein in the PDB containing the bepridil 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: P09860 ()  -  Troponin C, slow skeletal and cardiac muscles OS=Gallus gallus GN=TNNC1 PE=1 SV=1
UniProt id: P09860    160 a.a.  
1dtl A   149 a.a. 146   X-ray 2.15 Å
The PDB contains 1 entry of bepridil 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.

 

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