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DB01014 : balsalazide

Approved drug balsalazide ... 4 targets DB01014

Generic name: balsalazide PDB Het Group: BLQ
 
1 structure in PDB
Brand name(s): carbadox, colazal.
Formula: C17H15N3O6
IUPAC Formula: 5-[(E)-2-{4-[(2-Carboxyethyl)carbamoyl]phenyl}diazen-1-Yl]-2-Hydroxybenzoic acid
PDB name: (3e)-3-({4-[(2-Carboxyethyl)carbamoyl]phenyl}hydrazono)-6-Oxocyclohexa-1,4-Diene-1-Carboxylic acid

4
There are 4 target proteins defined in DrugBank for this drug.
 3 
3 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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Target proteins

DrugBank drug Target 1:   UniProt id: P37231 (PPARG_HUMAN)  -  Peroxisome proliferator-activated receptor gamma
UniProt id: P37231    504 a.a.  
1. 3e00 D     363 a.a. 363   X-ray 3.10 Å
  2. 3dzu D     359 a.a. 359   X-ray 3.20 Å
  3. 3dzy D     354 a.a. 354   X-ray 3.10 Å
  4. 3ty0 A,B     277 a.a. 275   X-ray 2.00 Å
  5. 3adx A     274 a.a. 274   X-ray 1.95 Å
   more ...
There are no PDB entries containing balsalazide bound to this target protein, although there are 125 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P35354 (PGH2_HUMAN)  -  Prostaglandin G/H synthase 2
UniProt id: P35354    603 a.a.  
1v0x A     604 a.a. 603   Theor. model
There are no PDB entries containing balsalazide bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 3:   UniProt id: P23219 (PGH1_HUMAN)  -  Prostaglandin G/H synthase 1
UniProt id: P23219    599 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: P09917 (LOX5_HUMAN)  -  Arachidonate 5-lipoxygenase
UniProt id: P09917    673 a.a.  
1. 2abv A     673 a.a. 673   Theor. model
  2. 3o8y A,B     676 a.a. 658   X-ray 2.39 Å
  3. 3v92 B,A     670 a.a. 658   X-ray 2.74 Å
  4. 3v98 A,B     669 a.a. 657   X-ray 2.07 Å
  5. 3v99 A,B     630 a.a. 618   X-ray 2.25 Å
There are no PDB entries containing balsalazide bound to this target protein, although there are 5 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 balsalazide bound in the PDB

There is 1 "non-target" protein in the PDB containing the balsalazide 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: Q9I5F3 ()  -  FMN-dependent NADH-azoreductase 1 OS=Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) GN=azoR1 PE=1 SV=1
UniProt id: Q9I5F3    211 a.a.  
3lt5 A   210 a.a. 209   X-ray 2.30 Å
The PDB contains 1 entry of balsalazide 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.

 

Structure selection

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