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DB00586 : diclofenac

Approved drug diclofenac ... 8 targets DB00586

Generic name: diclofenac PDB Het Group: DIF
 
12 structures in PDB
Brand name(s): allvoran, apo-diclo, assaren, benfofen, cataflam, delphimix, dichlofenac, dichronic, diclo-phlogont, diclo-puren, diclobenin, diclord, dicloreum, dolobasan, duravolten, dyloject, ecofenac, effekton, kriplex, neriodin, novapirina, novo-difenac, novo-difenac sr, nu-diclo, pennsaid, primofenac, prosorb-d, prophenatin, rhumalgan, solaraze, solaraze t, tsudohmin, valetan, voldal, voltaren, voltaren ophtha, voltaren ophthalmic, voltaren rapide, voltaren sr, voltaren-xr, voltarol, xenid.
Formula: C14H11Cl2No2
IUPAC Formula: 2-{2-[(2,6-Dichlorophenyl)amino]phenyl}acetic acid
PDB name: 2-[2,6-Dichlorophenyl)amino]benzeneacetic acid

8
There are 8 target proteins defined in DrugBank for this drug.
 3 
3 of these target proteins have one or more structures in the PDB.
 11 
There are 11 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Pharmacology
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Action

 

Target proteins

DrugBank drug Target 1:   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 diclofenac 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: 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 3:   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 diclofenac bound to this target protein, although there are 5 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: P35499 (SCN4A_HUMAN)  -  Sodium channel protein type 4 subunit alpha
UniProt id: P35499    1836 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: P78348 (ASIC1_HUMAN)  -  Amiloride-sensitive cation channel 2, neuronal
UniProt id: P78348    528 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 6:   UniProt id: O43526 (KCNQ2_HUMAN)  -  Potassium voltage-gated channel subfamily KQT member 2
UniProt id: O43526    872 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 7:   UniProt id: O43525 (KCNQ3_HUMAN)  -  Potassium voltage-gated channel subfamily KQT member 3
UniProt id: O43525    872 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 8:   UniProt id: P14555 (PA2GA_HUMAN)  -  Phospholipase A2, membrane associated
UniProt id: P14555    143 a.a.  
1. 3u8d A,B     124 a.a. 124   X-ray 1.80 Å
  2. 1kvo A,B,C,D,...     124 a.a. 124   X-ray 2.00 Å
  3. 1kqu A     124 a.a. 124   X-ray 2.10 Å
  4. 1pod A     124 a.a. 124   X-ray 2.10 Å
  5. 1poe A,B     124 a.a. 124   X-ray 2.10 Å
   more ...
There are no PDB entries containing diclofenac bound to this target protein, although there are 17 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

Other proteins with diclofenac bound in the PDB

There are 8 "non-target" proteins in the PDB containing the diclofenac molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: P00179 ()  -  Cytochrome P450 2C5 OS=Oryctolagus cuniculus GN=CYP2C5 PE=1 SV=2
UniProt id: P00179    486 a.a.  
1nr6 A   462 a.a. 456   X-ray 2.10 Å
The PDB contains 1 entry of diclofenac bound to this protein
Protein 2:   UniProt id: P02766 ()  -  Transthyretin OS=Homo sapiens GN=TTR PE=1 SV=1
UniProt id: P02766    146 a.a.  
3cfq A,B   116 a.a. 116   X-ray 2.09 Å
The PDB contains 1 entry of diclofenac bound to this protein
Protein 3:   UniProt id: P05979 ()  -  Prostaglandin G/H synthase 1 OS=Ovis aries GN=PTGS1 PE=1 SV=2
UniProt id: P05979    599 a.a.  
3n8y A,B   553 a.a. 552   X-ray 2.60 Å
The PDB contains 1 entry of diclofenac bound to this protein
Protein 4:   UniProt id: P24627 ()  -  Lactotransferrin OS=Bos taurus GN=LTF PE=1 SV=2
UniProt id: P24627    707 a.a.  
1. 2b6d A   341 a.a. 339   X-ray 1.40 Å
  2. 3hwv A   341 a.a. 339   X-ray 1.40 Å
  3. 3ib0 A   341 a.a. 339   X-ray 1.40 Å
The PDB contains 3 entries of diclofenac bound to this protein
Protein 5:   UniProt id: P59071 ()  -  Basic phospholipase A2 VRV-PL-VIIIa OS=Daboia russelii PE=1 SV=1
UniProt id: P59071    120 a.a.  
1. 1sv9 A   121 a.a. 120   X-ray 2.71 Å
  2. 2b17 A   121 a.a. 120   X-ray 2.71 Å
The PDB contains 2 entries of diclofenac bound to this protein
Protein 6:   UniProt id: Q05769 ()  -  Prostaglandin G/H synthase 2 OS=Mus musculus GN=Ptgs2 PE=1 SV=1
UniProt id: Q05769    603 a.a.  
1pxx A,B,C,D   552 a.a. 552   X-ray 2.90 Å
The PDB contains 1 entry of diclofenac bound to this protein
Protein 7:   UniProt id: Q825I8 ()  -  Pentalenic acid synthase OS=Streptomyces avermitilis (strain ATCC 31267 / DSM 46492 / JCM 5070 / NCIMB 12804 / NRRL 8165 / MA-4680) GN=cyp28 PE=1 SV=2
UniProt id: Q825I8    401 a.a.  
4ubs A   393 a.a. 393   X-ray 2.20 Å
The PDB contains 1 entry of diclofenac bound to this protein
Protein 8:   UniProt id: Q8N4Q0 ()  -  Zinc-binding alcohol dehydrogenase domain-containing protein 2 OS=Homo sapiens GN=ZADH2 PE=1 SV=1
UniProt id: Q8N4Q0    376 a.a.  
2wek A,B   341 a.a. 339   X-ray 1.90 Å
The PDB contains 1 entry of diclofenac 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.

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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