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DB01656 : roflumilast

Approved drug roflumilast ... 4 targets DB01656

Generic name: roflumilast PDB Het Group: ROF
 
3 structures in PDB
Brand name(s): daliresp, daxas.
Formula: C17H14Cl2F2N2O3
IUPAC Formula: 3-(Cyclopropylmethoxy)-N-(3,5-Dichloropyridin-4-Yl)-4-(Difluoromethoxy)benzamide
PDB name: 3-(Cyclopropylmethoxy)-N-(3,5-Dichloropyridin-4-Yl)-4-(Difluoromethoxy)benzamide

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.
 3 
There are 3 PDB structures of the drug molecule bound to its target protein.
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Target proteins

DrugBank drug Target 1:   UniProt id: Q08499 (PDE4D_HUMAN)  -  CAMP-specific 3',5'-cyclic phosphodiesterase 4D
UniProt id: Q08499    808 a.a.  
1. 3g4l A,B,C,D   327 a.a. 327   X-ray 2.50 Å
  2. 1xoq A,B   326 a.a. 326   X-ray 1.83 Å
The PDB contains 2 entries of roflumilast bound to this target protein and 36 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 2:   UniProt id: P27815 (PDE4A_HUMAN)  -  CAMP-specific 3',5'-cyclic phosphodiesterase 4A
UniProt id: P27815    885 a.a.  
1. 2qyk A,B     334 a.a. 333   X-ray 2.10 Å
  2. 3tvx A,B     334 a.a. 333   X-ray 2.84 Å
  3. 3i8v A,B     334 a.a. 331   X-ray 2.25 Å
There are no PDB entries containing roflumilast 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 3:   UniProt id: Q07343 (PDE4B_HUMAN)  -  CAMP-specific 3',5'-cyclic phosphodiesterase 4B
UniProt id: Q07343    735 a.a.  
1xmu A,B   329 a.a. 327   X-ray 2.30 Å
The PDB contains 1 entry of roflumilast bound to this target protein and 36 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 4:   UniProt id: Q08493 (PDE4C_HUMAN)  -  CAMP-specific 3',5'-cyclic phosphodiesterase 4C
UniProt id: Q08493    711 a.a.  
1. 1lxu A     344 a.a. 344   Theor. model
  2. 2qym A     291 a.a. 291   X-ray 1.90 Å
There are no PDB entries containing roflumilast bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

 

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