CodeIMN
NameIndomethacin
Synonyms1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid
Identifier
FormulaC19 H16 Cl N O4
Molecular Weight357.788
SMILES
PubChem3715
Formal Charge0
Total Atoms41
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds16
Networks2
 missing image

This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8XXV A Lipid Prostanoid DP2 Homo Sapiens Indomethacin A1D5Q Gi1/Beta1/Gamma2 2.33 2024-12-04 doi.org/10.1073/pnas.2403304121

A 2D representation of the interactions of IMN in 8XXV
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
L:L:?1 R:R:F87 5.95 1 Yes Yes 0 6 0 1
L:L:?1 R:R:H107 9.87 1 Yes Yes 0 5 0 1
L:L:?1 R:R:F111 12.75 1 Yes Yes 0 6 0 1
L:L:?1 R:R:R170 5.09 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y183 28.64 1 Yes Yes 0 4 0 1
L:L:?1 R:R:Y184 11.46 1 Yes Yes 0 4 0 1
L:L:?1 R:R:Y262 9 1 Yes Yes 0 7 0 1
L:L:?1 R:R:L286 11.59 1 Yes No 0 5 0 1
L:L:?1 R:R:F294 5.1 1 Yes No 0 6 0 1
R:R:F87 R:R:H39 6.79 0 Yes No 6 8 1 2
R:R:H107 R:R:S83 9.76 1 Yes No 5 6 1 2
R:R:F294 R:R:L84 10.96 1 No No 6 8 1 2
R:R:F103 R:R:F86 4.29 1 Yes No 6 7 2 2
R:R:F86 R:R:H107 7.92 1 No Yes 7 5 2 1
R:R:F87 R:R:F90 3.22 0 Yes No 6 5 1 2
R:R:F87 R:R:L91 12.18 0 Yes No 6 5 1 2
R:R:F103 R:R:H107 13.58 1 Yes Yes 6 5 2 1
R:R:C104 R:R:R170 4.18 1 No Yes 9 5 2 1
R:R:C104 R:R:C182 5.46 1 No No 9 9 2 2
R:R:R170 R:R:S108 15.81 1 Yes No 5 5 1 2
R:R:F111 R:R:F112 4.29 1 Yes Yes 6 5 1 2
R:R:F111 R:R:Y262 6.19 1 Yes Yes 6 7 1 1
R:R:F111 R:R:F294 5.36 1 Yes No 6 6 1 1
R:R:F112 R:R:Y166 30.95 1 Yes Yes 5 4 2 2
R:R:F112 R:R:Y184 6.19 1 Yes Yes 5 4 2 1
R:R:Y166 R:R:Y184 6.95 1 Yes Yes 4 4 2 1
R:R:K210 R:R:Y166 5.97 1 Yes Yes 5 4 2 2
R:R:C182 R:R:R170 6.96 1 No Yes 9 5 2 1
R:R:R170 R:R:Y184 6.17 1 Yes Yes 5 4 1 1
R:R:Y183 R:R:Y184 11.91 1 Yes Yes 4 4 1 1
R:R:E269 R:R:Y183 6.73 0 No Yes 5 4 2 1
R:R:L286 R:R:Y183 4.69 1 No Yes 5 4 1 1
R:R:K210 R:R:Y262 4.78 1 Yes Yes 5 7 2 1
R:R:H263 R:R:K210 3.93 1 Yes Yes 8 5 2 2
R:R:H263 R:R:Y262 6.53 1 Yes Yes 8 7 2 1
R:R:T290 R:R:Y262 4.99 0 No Yes 6 7 2 1
R:R:L286 R:R:P287 3.28 1 No No 5 4 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub7.00
Average Interaction Strength11.05
Average Nodes In Shell27.00
Average Hubs In Shell13.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell34.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links9.50
Average Number Of Links With An Hub7.50
Average Interaction Strength10.65
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell40.50
Average Links Mediated by Hubs In Shell37.50

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)