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DB00328 : indomethacin

Approved drug indomethacin ... 7 targets DB00328

Generic name: indomethacin PDB Het Group: IMN
 
26 structures in PDB
Brand name(s): amuno, apo-indomethacin, arthrexin, artracin, artrinovo, artrivia, bonidin, bonidon, bonidon gel, catlep, chibro-amuno, chrono-indicid, chrono-indocid, confortid, dolcidium, dolcidium pl, dolovin, durametacin, elmetacin, flexin continus, hicin, idomethine, imbrilon, inacid, indacin, indaflex, indameth, indmethacine, indo-lemmon, indo-phlogont, indo-rectolmin, indo-spray, indo-tablinen, indocid, indocid pda, indocid sr, indocin, indocin i.v, indocin i.v., indocin sr, indolar sr, indomecol, indomed, indomee, indomethegan, indomo, indomod, indoptic, indoptol, indorektal, indoxen, inflazon, infrocin, inteban sp, lausit, liometacen, metacen, metartril, methazine, metindol, miametan, mikametan, mobilan, novo-methacin, novomethacin, nu-indo, reumacide, rhemacin la, rheumacin la, sadoreum, tannex, vonum.
Formula: C19H16Clno4
IUPAC Formula: 2-{1-[(4-Chlorophenyl)carbonyl]-5-Methoxy-2-Methyl-1h-Indol-3-Yl}acetic acid
PDB name: Indomethacin

7
There are 7 target proteins defined in DrugBank for this drug.
 5 
5 of these target proteins have one or more structures in the PDB.
 4 
There are 4 PDB structures of the drug molecule bound to its target protein.
 19 
There are 19 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: 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 indomethacin 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: 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 indomethacin bound to this target protein, although there are 17 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: Q8N8N7 (PTGR2_HUMAN)  -  Prostaglandin reductase 2
UniProt id: Q8N8N7    351 a.a.  
2zb8 A   342 a.a. 342   X-ray 2.00 Å
The PDB contains 1 entry of indomethacin bound to this target protein and 6 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 5:   UniProt id: P37231 (PPARG_HUMAN)  -  Peroxisome proliferator-activated receptor gamma
UniProt id: P37231    504 a.a.  
1. 3adx A   274 a.a. 274   X-ray 1.95 Å
  2. 3ads A,B   262 a.a. 262   X-ray 2.25 Å
The PDB contains 3 entries of indomethacin bound to this target protein and 125 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 6:   UniProt id: Q04760 (LGUL_HUMAN)  -  Lactoylglutathione lyase
UniProt id: Q04760    183 a.a.  
1. 3w0t A,B,C,D     176 a.a. 176   X-ray 1.35 Å
  2. 3vw9 A,B     176 a.a. 176   X-ray 1.47 Å
  3. 1qip A,B,C,D     176 a.a. 176   X-ray 1.72 Å
  4. 1qin A,B     176 a.a. 176   X-ray 2.00 Å
  5. 1fro A,B,C,D     176 a.a. 176   X-ray 2.20 Å
   more ...
There are no PDB entries containing indomethacin bound to this target protein, although there are 7 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 7:   UniProt id: Q9Y5Y4 (PD2R2_HUMAN)  -  Putative G-protein coupled receptor 44
UniProt id: Q9Y5Y4    395 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

Other proteins with indomethacin bound in the PDB

There are 11 "non-target" proteins in the PDB containing the indomethacin molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above. Only 10 of the 11 proteins are listed below.

Protein 1:   UniProt id: D0VX11 ()  -  Phospholipase A2 VRV-PL-VIIIa OS=Daboia russellii pulchella PE=1 SV=1
UniProt id: D0VX11    120 a.a.  
1. 3fo7 A   121 a.a. 120   X-ray 1.40 Å
  2. 4eix A   121 a.a. 120   X-ray 2.90 Å
The PDB contains 2 entries of indomethacin 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.  
1. 4iki A,B   116 a.a. 116   X-ray 2.00 Å
  2. 4ik7 A,B   116 a.a. 116   X-ray 2.10 Å
The PDB contains 2 entries of indomethacin bound to this protein
Protein 3:   UniProt id: P24627 ()  -  Lactotransferrin OS=Bos taurus GN=LTF PE=1 SV=2
UniProt id: P24627    707 a.a.  
1. 3hwz A   341 a.a. 339   X-ray 2.20 Å
  2. 3ib1 A   341 a.a. 339   X-ray 2.20 Å
  3. 2alt A   340 a.a. 338   X-ray 2.20 Å
The PDB contains 3 entries of indomethacin bound to this protein
Protein 4:   UniProt id: P42330 ()  -  Aldo-keto reductase family 1 member C3 OS=Homo sapiens GN=AKR1C3 PE=1 SV=4
UniProt id: P42330    322 a.a.  
1. 1s2a A   315 a.a. 315   X-ray 1.70 Å
  2. 3ugr A   308 a.a. 308   X-ray 1.65 Å
The PDB contains 2 entries of indomethacin 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.  
4jq4 A,B   316 a.a. 316   X-ray 1.52 Å
The PDB contains 1 entry of indomethacin bound to this protein
Protein 6:   UniProt id: P59071 ()  -  Basic phospholipase A2 VRV-PL-VIIIa OS=Daboia russelii PE=1 SV=1
UniProt id: P59071    120 a.a.  
1. 1ti0 A   121 a.a. 120   X-ray 1.40 Å
  2. 2dv8 A   121 a.a. 120   X-ray 1.40 Å
  3. 3h1x A   121 a.a. 120   X-ray 1.40 Å
  4. 2oth A   121 a.a. 120   X-ray 2.90 Å
The PDB contains 4 entries of indomethacin bound to this protein
Protein 7:   UniProt id: P80025 ()  -  Lactoperoxidase OS=Bos taurus GN=LPO PE=1 SV=1
UniProt id: P80025    711 a.a.  
3ogw A   594 a.a. 593   X-ray 1.89 Å
The PDB contains 1 entry of indomethacin bound to this protein
Protein 8:   UniProt id: Q05769 ()  -  Prostaglandin G/H synthase 2 OS=Mus musculus GN=Ptgs2 PE=1 SV=1
UniProt id: Q05769    603 a.a.  
4cox A,B,C,D   552 a.a. 550   X-ray 2.90 Å
The PDB contains 1 entry of indomethacin bound to this protein
Protein 9:   UniProt id: Q9CPU0 ()  -  Lactoylglutathione lyase OS=Mus musculus GN=Glo1 PE=1 SV=3
UniProt id: Q9CPU0    183 a.a.  
4kyk A,B   179 a.a. 179   X-ray 2.00 Å
The PDB contains 1 entry of indomethacin bound to this protein
Protein 10:   UniProt id: Q9EQZ5 ()  -  Prostaglandin reductase 1 OS=Cavia porcellus GN=Ptgr1 PE=1 SV=1
UniProt id: Q9EQZ5    329 a.a.  
2dm6 A,B   331 a.a. 329   X-ray 2.00 Å
The PDB contains 1 entry of indomethacin 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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