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DB00712 : flurbiprofen

Approved drug flurbiprofen ... 2 targets DB00712

Generic name: flurbiprofen PDB Het Group: FLP
 
10 structures in PDB
Brand name(s): adfeed, ansaid, antadys, apo-flurbiprofen, cebutid, flurbiprofen axetil, flurofen, froben, froben sr, novo-flurprofen, nu-flurbiprofen, ocufen, stayban, zepolas.
Formula: C15H13Fo2
IUPAC Formula: 2-(3-Fluoro-4-Phenylphenyl)propanoic acid
PDB name: Flurbiprofen

2
There are 2 target proteins defined in DrugBank for this drug.
 1 
1 of these target proteins has one or more structures in the PDB.
 10 
There are 10 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Information  
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Target proteins

DrugBank drug Target 1:   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 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 flurbiprofen 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 flurbiprofen bound in the PDB

There are 6 "non-target" proteins in the PDB containing the flurbiprofen 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: P02766 ()  -  Transthyretin OS=Homo sapiens GN=TTR PE=1 SV=1
UniProt id: P02766    146 a.a.  
1dvt A,B   115 a.a. 114   X-ray 1.90 Å
The PDB contains 1 entry of flurbiprofen bound to this protein
Protein 2:   UniProt id: P05979 ()  -  Prostaglandin G/H synthase 1 OS=Ovis aries GN=PTGS1 PE=1 SV=2
UniProt id: P05979    599 a.a.  
1. 2ayl A,B   553 a.a. 552   X-ray 2.00 Å
  2. 3n8w A,B   553 a.a. 552   X-ray 2.75 Å
  3. 3n8z A,B   553 a.a. 552   X-ray 2.90 Å
  4. 1cqe A,B   552 a.a. 551   X-ray 3.10 Å
  5. 1eqh A,B   551 a.a. 550   X-ray 2.70 Å
The PDB contains 5 entries of flurbiprofen bound to this protein
Protein 3:   UniProt id: P11712 ()  -  Cytochrome P450 2C9 OS=Homo sapiens GN=CYP2C9 PE=1 SV=3
UniProt id: P11712    489 a.a.  
1r9o A   455 a.a. 452   X-ray 2.00 Å
The PDB contains 1 entry of flurbiprofen 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.  
4for A   335 a.a. 333   X-ray 1.58 Å
The PDB contains 1 entry of flurbiprofen bound to this protein
Protein 5:   UniProt id: P52895 ()  -  Aldo-keto reductase family 1 member C2 OS=Homo sapiens GN=AKR1C2 PE=1 SV=3
UniProt id: P52895    322 a.a.  
4jtq A,B   316 a.a. 316   X-ray 1.60 Å
The PDB contains 1 entry of flurbiprofen 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.  
3pgh A,B,C,D   552 a.a. 550   X-ray 2.50 Å
The PDB contains 1 entry of flurbiprofen 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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