CodeHXA
NameDoconexent
SynonymsDoconexent sodium
Identifier(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
FormulaC22 H32 O2
Molecular Weight328.488
SMILESCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
PubChem445580
Formal Charge0
Total Atoms56
Total Chiral Atoms0
Total Bonds55
Total Aromatic Bonds0
Networks5
 missing image

This ligand is also present in the following 5 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8EIT A Lipid Free fatty acid FFA1 (GPR40) Homo sapiens Doconexent - chim(NtGi1L-Gs-CtGq)/Beta1/Gamma2 2.8 2023-05-24 10.1073/pnas.2219569120

A 2D representation of the interactions of HXA in 8EIT
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
R:R:F142 R:R:P80 4.33 0 Yes No 4 7 1 2
R:R:F87 R:R:H86 3.39 6 No Yes 6 6 1 2
R:R:F87 R:R:Y240 5.16 6 No Yes 6 8 1 1
L:L:?1 R:R:F87 12.21 6 Yes No 0 6 0 1
R:R:L190 R:R:Y91 5.86 0 No No 6 8 2 1
R:R:Y240 R:R:Y91 8.94 6 Yes No 8 8 1 1
L:L:?1 R:R:Y91 9.04 6 Yes No 0 8 0 1
R:R:L186 R:R:V141 10.43 0 No No 6 5 1 2
R:R:F142 R:R:L158 8.53 0 Yes No 4 1 1 2
L:L:?1 R:R:F142 6.57 6 Yes Yes 0 4 0 1
R:R:E172 R:R:R258 3.49 0 No Yes 6 7 2 1
R:R:A179 R:R:R183 4.15 0 No Yes 4 6 2 1
R:R:N244 R:R:R183 7.23 6 Yes Yes 7 6 2 1
R:R:R183 R:R:R258 19.19 6 Yes Yes 6 7 1 1
L:L:?1 R:R:R183 11.24 6 Yes Yes 0 6 0 1
R:R:N244 R:R:Y240 11.63 6 Yes Yes 7 8 2 1
R:R:R258 R:R:Y240 8.23 6 Yes Yes 7 8 1 1
R:R:G261 R:R:Y240 4.35 0 No Yes 6 8 2 1
L:L:?1 R:R:Y240 4.52 6 Yes Yes 0 8 0 1
R:R:N244 R:R:R258 7.23 6 Yes Yes 7 7 2 1
L:L:?1 R:R:R258 5.62 6 Yes Yes 0 7 0 1
L:L:?1 R:R:L186 3.2 6 Yes No 0 6 0 1
R:R:F142 R:R:G139 1.51 0 Yes No 4 4 1 2
R:R:R258 R:R:S243 1.32 6 Yes No 7 5 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.49
Average Nodes In Shell19.00
Average Hubs In Shell7.00
Average Links In Shell24.00
Average Links Mediated by Hubs In Shell22.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8H4I A Lipid Free fatty acid FFA4 Homo sapiens Doconexent - chim(NtGi1-Gs)/Beta1/Gamma2 3.06 2023-06-21 10.1038/s41422-023-00835-x

A 2D representation of the interactions of HXA in 8H4I
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
R:R:F25 R:R:F27 5.36 1 Yes Yes 5 5 2 1
R:R:F25 R:R:I287 5.02 1 Yes No 5 5 2 2
R:R:F25 R:R:F303 2.14 1 Yes Yes 5 4 2 1
R:R:F115 R:R:F27 2.14 1 Yes Yes 5 5 1 1
R:R:F177 R:R:F27 3.22 1 Yes Yes 5 5 2 1
R:R:F27 R:R:T195 2.59 1 Yes Yes 5 4 1 2
R:R:F27 R:R:F303 7.5 1 Yes Yes 5 4 1 1
L:L:?1 R:R:F27 2.82 1 Yes Yes 0 5 0 1
R:R:F115 R:R:F28 4.29 1 Yes Yes 5 8 1 2
R:R:F28 R:R:F303 3.22 1 Yes Yes 8 4 2 1
R:R:F88 R:R:M118 2.49 1 Yes Yes 7 7 1 1
R:R:F88 R:R:S121 7.93 1 Yes No 7 8 1 2
R:R:F311 R:R:F88 4.29 0 No Yes 7 7 2 1
L:L:?1 R:R:F88 1.88 1 Yes Yes 0 7 0 1
R:R:A91 R:R:M118 3.22 0 No Yes 6 7 2 1
R:R:F115 R:R:L114 3.65 1 Yes No 5 6 1 2
R:R:L114 R:R:M118 4.24 0 No Yes 6 7 2 1
R:R:F115 R:R:F177 15 1 Yes Yes 5 5 1 2
L:L:?1 R:R:F115 1.88 1 Yes Yes 0 5 0 1
L:L:?1 R:R:M118 5.45 1 Yes Yes 0 7 0 1
R:R:A170 R:R:T119 3.36 0 No Yes 7 5 2 1
R:R:L173 R:R:T119 4.42 0 No Yes 5 5 2 1
R:R:F211 R:R:T119 2.59 1 Yes Yes 5 5 1 1
L:L:?1 R:R:T119 2.27 1 Yes Yes 0 5 0 1
R:R:S123 R:R:S166 3.26 1 Yes No 6 8 1 2
R:R:F211 R:R:S123 2.64 1 Yes Yes 5 6 1 1
R:R:N215 R:R:S123 4.47 1 Yes Yes 6 6 1 1
L:L:?1 R:R:S123 2.32 1 Yes Yes 0 6 0 1
R:R:I126 R:R:P219 3.39 1 Yes No 8 9 1 2
R:R:F273 R:R:I126 2.51 1 Yes Yes 9 8 2 1
R:R:I126 R:R:W277 7.05 1 Yes Yes 8 9 1 2
L:L:?1 R:R:I126 2.2 1 Yes Yes 0 8 0 1
R:R:N215 R:R:Y165 9.3 1 Yes Yes 6 4 1 2
R:R:F176 R:R:P172 2.89 1 Yes No 5 8 2 2
R:R:P172 R:R:W198 2.7 1 No Yes 8 7 2 1
R:R:P172 R:R:W207 5.4 1 No No 8 6 2 2
R:R:F177 R:R:L173 3.65 1 Yes No 5 5 2 2
R:R:F176 R:R:W198 4.01 1 Yes Yes 5 7 2 1
R:R:F176 R:R:P199 14.45 1 Yes No 5 6 2 2
R:R:F177 R:R:L196 10.96 1 Yes No 5 5 2 2
R:R:L196 R:R:W198 10.25 0 No Yes 5 7 2 1
R:R:P199 R:R:W198 2.7 1 No Yes 6 7 2 1
R:R:E204 R:R:W198 23.99 1 Yes Yes 5 7 1 1
R:R:W198 R:R:W207 1.87 1 Yes No 7 6 1 2
L:L:?1 R:R:W198 12.3 1 Yes Yes 0 7 0 1
R:R:E204 R:R:L288 3.98 1 Yes No 5 4 1 1
R:R:E204 R:R:N291 5.26 1 Yes No 5 2 1 2
L:L:?1 R:R:E204 9.2 1 Yes Yes 0 5 0 1
R:R:F211 R:R:W207 10.02 1 Yes No 5 6 1 2
R:R:D208 R:R:I284 4.2 1 No No 5 5 1 1
R:R:D208 R:R:L288 6.79 1 No No 5 4 1 1
L:L:?1 R:R:D208 5.23 1 Yes No 0 5 0 1
R:R:F211 R:R:N215 4.83 1 Yes Yes 5 6 1 1
L:L:?1 R:R:F211 8.45 1 Yes Yes 0 5 0 1
L:L:?1 R:R:N215 3.18 1 Yes Yes 0 6 0 1
R:R:F273 R:R:W277 3.01 1 Yes Yes 9 9 2 2
R:R:I280 R:R:I281 2.94 0 No No 6 7 1 2
L:L:?1 R:R:I280 3.3 1 Yes No 0 6 0 1
R:R:F303 R:R:T283 2.59 1 Yes No 4 5 1 2
L:L:?1 R:R:I284 6.6 1 Yes No 0 5 0 1
R:R:F303 R:R:I287 2.51 1 Yes No 4 5 1 2
L:L:?1 R:R:L288 7.47 1 Yes No 0 4 0 1
R:R:F303 R:R:V307 5.24 1 Yes No 4 5 1 2
L:L:?1 R:R:F303 1.88 1 Yes Yes 0 4 0 1
R:R:F311 R:R:V307 3.93 0 No No 7 5 2 2
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub12.00
Average Interaction Strength4.78
Average Nodes In Shell42.00
Average Hubs In Shell21.00
Average Links In Shell65.00
Average Links Mediated by Hubs In Shell60.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8H4L A Lipid Free fatty acid FFA4 Homo sapiens Doconexent - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 3.07 2023-06-21 10.1038/s41422-023-00835-x

A 2D representation of the interactions of HXA in 8H4L
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
R:R:F25 R:R:I287 6.28 3 Yes Yes 5 5 2 1
R:R:F25 R:R:F303 3.22 3 Yes Yes 5 4 2 2
R:R:F27 R:R:I287 2.51 3 No Yes 5 5 1 1
R:R:F27 R:R:F303 6.43 3 No Yes 5 4 1 2
L:L:?1 R:R:F27 4.7 3 Yes No 0 5 0 1
R:R:F88 R:R:S121 7.93 3 Yes No 7 8 1 2
R:R:F88 R:R:G122 3.01 3 Yes No 7 7 1 1
R:R:F311 R:R:F88 8.57 0 No Yes 7 7 2 1
L:L:?1 R:R:F88 4.7 3 Yes Yes 0 7 0 1
R:R:A91 R:R:M118 3.22 0 No No 6 7 2 1
R:R:F311 R:R:M118 2.49 0 No No 7 7 2 1
L:L:?1 R:R:M118 6.54 3 Yes No 0 7 0 1
R:R:F211 R:R:T119 3.89 3 Yes No 5 5 1 2
L:L:?1 R:R:G122 3.96 3 Yes No 0 7 0 1
R:R:F211 R:R:S123 3.96 3 Yes No 5 6 1 2
R:R:N215 R:R:S123 4.47 3 Yes No 6 6 2 2
R:R:T125 R:R:W277 2.43 0 No Yes 9 9 2 1
R:R:I126 R:R:W277 11.74 0 No Yes 8 9 2 1
R:R:E204 R:R:W198 35.98 0 No Yes 5 7 1 2
R:R:W198 R:R:W207 4.69 6 Yes Yes 7 6 2 2
R:R:E204 R:R:N291 3.94 0 No No 5 2 1 2
L:L:?1 R:R:E204 3.07 3 Yes No 0 5 0 1
R:R:D208 R:R:W207 3.35 3 Yes Yes 5 6 1 2
R:R:F211 R:R:W207 11.02 3 Yes Yes 5 6 1 2
R:R:D208 R:R:I284 4.2 3 Yes No 5 5 1 1
R:R:D208 R:R:L285 2.71 3 Yes No 5 6 1 2
R:R:D208 R:R:L288 5.43 3 Yes No 5 4 1 2
L:L:?1 R:R:D208 7.33 3 Yes Yes 0 5 0 1
R:R:F211 R:R:N215 8.46 3 Yes Yes 5 6 1 2
L:L:?1 R:R:F211 5.64 3 Yes Yes 0 5 0 1
R:R:T310 R:R:W277 3.64 0 No Yes 8 9 2 1
R:R:N313 R:R:W277 22.6 0 No Yes 9 9 2 1
L:L:?1 R:R:W277 5.27 3 Yes Yes 0 9 0 1
L:L:?1 R:R:I284 4.4 3 Yes No 0 5 0 1
R:R:I287 R:R:N291 2.83 3 Yes No 5 2 1 2
R:R:F303 R:R:I287 2.51 3 Yes Yes 4 5 2 1
L:L:?1 R:R:I287 6.6 3 Yes Yes 0 5 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub5.00
Average Interaction Strength5.22
Average Nodes In Shell28.00
Average Hubs In Shell11.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8T3Q A Lipid Free fatty acid FFA4 Homo Sapiens DHA - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.14 2024-01-24 10.1126/sciadv.adj2384

A 2D representation of the interactions of HXA in 8T3Q
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
R:R:R22 R:R:R24 15.99 0 No No 5 5 1 2
L:L:?1 R:R:R22 3.75 2 Yes No 0 5 0 1
R:R:F27 R:R:L196 4.87 8 Yes Yes 5 5 2 1
R:R:F27 R:R:F303 5.36 8 Yes No 5 4 2 2
R:R:F88 R:R:G122 3.01 0 Yes No 7 7 2 1
R:R:F88 R:R:T310 3.89 0 Yes No 7 8 2 2
R:R:F311 R:R:F88 6.43 0 Yes Yes 7 7 2 2
R:R:F311 R:R:M118 6.22 0 Yes No 7 7 2 1
L:L:?1 R:R:M118 7.63 2 Yes No 0 7 0 1
R:R:A170 R:R:T119 3.36 0 No No 7 5 2 1
R:R:L173 R:R:T119 4.42 2 Yes No 5 5 1 1
L:L:?1 R:R:T119 10.23 2 Yes No 0 5 0 1
L:L:?1 R:R:G122 5.28 2 Yes No 0 7 0 1
R:R:F211 R:R:S123 3.96 2 Yes Yes 5 6 1 2
R:R:N215 R:R:S123 8.94 2 Yes Yes 6 6 2 2
R:R:T125 R:R:W277 6.06 0 No Yes 9 9 2 1
R:R:F273 R:R:I126 5.02 2 Yes No 9 8 2 2
R:R:I126 R:R:W277 19.97 2 No Yes 8 9 2 1
R:R:L173 R:R:W198 3.42 2 Yes Yes 5 7 1 2
R:R:L173 R:R:W207 7.97 2 Yes Yes 5 6 1 2
L:L:?1 R:R:L173 6.4 2 Yes Yes 0 5 0 1
R:R:F177 R:R:L196 3.65 8 Yes Yes 5 5 2 1
R:R:L196 R:R:W198 5.69 0 Yes Yes 5 7 1 2
L:L:?1 R:R:L196 5.34 2 Yes Yes 0 5 0 1
R:R:E204 R:R:W198 15.27 2 Yes Yes 5 7 1 2
R:R:W198 R:R:W207 8.43 2 Yes Yes 7 6 2 2
R:R:I201 R:R:N291 8.5 0 No No 4 2 2 1
R:R:D208 R:R:E204 6.5 2 Yes Yes 5 5 1 1
R:R:E204 R:R:L288 3.98 2 Yes No 5 4 1 2
R:R:E204 R:R:N291 3.94 2 Yes No 5 2 1 1
L:L:?1 R:R:E204 8.17 2 Yes Yes 0 5 0 1
R:R:D208 R:R:W207 7.82 2 Yes Yes 5 6 1 2
R:R:F211 R:R:W207 8.02 2 Yes Yes 5 6 1 2
R:R:D208 R:R:L288 9.5 2 Yes No 5 4 1 2
L:L:?1 R:R:D208 7.33 2 Yes Yes 0 5 0 1
R:R:F211 R:R:N215 13.29 2 Yes Yes 5 6 1 2
L:L:?1 R:R:F211 3.76 2 Yes Yes 0 5 0 1
R:R:F216 R:R:W277 3.01 0 No Yes 8 9 2 1
R:R:F273 R:R:W277 6.01 2 Yes Yes 9 9 2 1
R:R:T310 R:R:W277 3.64 0 No Yes 8 9 2 1
R:R:N313 R:R:W277 13.56 0 No Yes 9 9 2 1
L:L:?1 R:R:W277 5.27 2 Yes Yes 0 9 0 1
R:R:I280 R:R:T283 4.56 2 Yes No 6 5 1 2
R:R:I280 R:R:I284 4.42 2 Yes No 6 5 1 1
R:R:I280 R:R:T310 4.56 2 Yes No 6 8 1 2
L:L:?1 R:R:I280 8.8 2 Yes Yes 0 6 0 1
L:L:?1 R:R:I284 11.01 2 Yes No 0 5 0 1
R:R:F303 R:R:I287 3.77 8 No No 4 5 2 1
L:L:?1 R:R:I287 15.41 2 Yes No 0 5 0 1
L:L:?1 R:R:N291 13.77 2 Yes No 0 2 0 1
R:R:A169 R:R:F211 2.77 0 No Yes 5 5 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.01
Average Nodes In Shell36.00
Average Hubs In Shell17.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell47.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8T3V A Lipid Free fatty acid FFA1 Homo Sapiens DHA - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.39 2024-01-24 10.1126/sciadv.adj2384

A 2D representation of the interactions of HXA in 8T3V
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
R:R:A83 R:R:F142 4.16 4 No Yes 6 4 1 1
L:L:?1 R:R:A83 3.64 4 Yes No 0 6 0 1
L:L:?1 R:R:V84 20.68 4 Yes No 0 6 0 1
R:R:F87 R:R:H86 3.39 4 Yes Yes 6 6 1 2
R:R:F87 R:R:Y240 5.16 4 Yes Yes 6 8 1 2
R:R:F87 R:R:R258 5.34 4 Yes Yes 6 7 1 1
L:L:?1 R:R:F87 20.66 4 Yes Yes 0 6 0 1
R:R:F88 R:R:L135 4.87 0 Yes No 5 3 2 1
R:R:L138 R:R:Y91 5.86 0 No Yes 6 8 1 2
R:R:Y240 R:R:Y91 9.93 4 Yes Yes 8 8 2 2
R:R:N241 R:R:Y91 3.49 4 Yes Yes 9 8 2 2
R:R:N244 R:R:Y91 3.49 4 Yes Yes 7 8 1 2
L:L:?1 R:R:L135 9.61 4 Yes No 0 3 0 1
L:L:?1 R:R:L138 10.67 4 Yes No 0 6 0 1
L:L:?1 R:R:G139 5.28 4 Yes No 0 4 0 1
R:R:A146 R:R:F142 5.55 0 No Yes 3 4 2 1
R:R:F142 R:R:G159 4.52 4 Yes No 4 4 1 2
R:R:F142 R:R:L171 6.09 4 Yes No 4 5 1 2
L:L:?1 R:R:F142 14.09 4 Yes Yes 0 4 0 1
R:R:A146 R:R:W174 3.89 0 No Yes 3 4 2 2
R:R:A179 R:R:W174 7.78 4 No Yes 4 4 2 2
R:R:R183 R:R:W174 4 4 Yes Yes 6 4 1 2
R:R:A179 R:R:R183 6.91 4 No Yes 4 6 2 1
R:R:N244 R:R:R183 8.44 4 Yes Yes 7 6 1 1
R:R:R183 R:R:R258 10.66 4 Yes Yes 6 7 1 1
L:L:?1 R:R:R183 19.67 4 Yes Yes 0 6 0 1
R:R:N244 R:R:Y240 5.81 4 Yes Yes 7 8 1 2
R:R:N241 R:R:N244 5.45 4 Yes Yes 9 7 2 1
L:L:?1 R:R:N244 3.18 4 Yes Yes 0 7 0 1
L:L:?1 R:R:R258 8.43 4 Yes Yes 0 7 0 1
R:R:R258 R:R:S243 2.64 4 Yes No 7 5 1 2
R:R:F142 R:R:G143 1.51 4 Yes No 4 3 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.59
Average Nodes In Shell23.00
Average Hubs In Shell12.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell32.00
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 Links11.40
Average Number Of Links With An Hub6.60
Average Interaction Strength7.42
Average Nodes In Shell29.60
Average Hubs In Shell13.60
Average Links In Shell41.80
Average Links Mediated by Hubs In Shell39.00

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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 🔍)