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DB00903 : ethacrynic acid

Approved drug ethacrynic acid ... 2 targets DB00903

Generic name: ethacrynic acid PDB Het Group: EAA
 
8 structures in PDB
Brand name(s): crinuryl, edecril, edecrin, edecrina, endecril, hidromedin, hydromedin, mingit, otacril, reomax, taladren, uregit.
Formula: C13H12Cl2O4
IUPAC Formula: 2-[2,3-Dichloro-4-(2-Methylidenebutanoyl)phenoxy]acetic acid
PDB name: Ethacrynic acid

2
There are 2 target proteins defined in DrugBank for this drug.
 2 
There are 2 PDB structures 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: P05023 (AT1A1_HUMAN)  -  Sodium/potassium-transporting ATPase alpha-1 chain
  No Pfam domain assignments available for this protein.
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 2:   UniProt id: Q13621 (S12A1_HUMAN)  -  Solute carrier family 12 member 1
  No Pfam domain assignments available for this protein.
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)

Key:  

 

Other proteins with ethacrynic acid bound in the PDB

There is 1 "non-target" protein in the PDB containing the ethacrynic acid 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: P08263 ()  -  Glutathione S-transferase A1 OS=Homo sapiens GN=GSTA1 PE=1 SV=3
UniProt id: P08263    221 a.a.  
1. 1gsf A,B,C,D   221 a.a. 221   X-ray 2.70 Å
  2. 1gse A,B   221 a.a. 220   X-ray 2.00 Å
The PDB contains 2 entries of ethacrynic acid 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.

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

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