CodeKW0
Name(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid
Synonyms
Identifier
FormulaC26 H50 N O9 P
Molecular Weight551.65
SMILES
PubChem118584207
Formal Charge0
Total Atoms87
Total Chiral Atoms2
Total Bonds86
Total Aromatic Bonds0
Networks3
 missing image

This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8XBE A Orphan Orphan GPR34 Homo Sapiens S3E-LysoPS - Gi1/Beta1/Gamma1 3.4 2024-05-15 doi.org/10.1038/s41467-024-45046-z

A 2D representation of the interactions of KW0 in 8XBE
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:K128 7.19 2 Yes Yes 0 8 0 1
L:L:?1 R:R:Y135 13.67 2 Yes Yes 0 5 0 1
L:L:?1 R:R:M136 10.3 2 Yes No 0 5 0 1
L:L:?1 R:R:G185 2.49 2 Yes No 0 4 0 1
L:L:?1 R:R:M189 3.09 2 Yes Yes 0 4 0 1
L:L:?1 R:R:T193 5.37 2 Yes No 0 5 0 1
L:L:?1 R:R:F205 5.33 2 Yes Yes 0 4 0 1
L:L:?1 R:R:K210 2.06 2 Yes No 0 3 0 1
L:L:?1 R:R:F219 7.99 2 Yes No 0 5 0 1
L:L:?1 R:R:N220 12.01 2 Yes No 0 4 0 1
L:L:?1 R:R:L223 7.06 2 Yes No 0 5 0 1
L:L:?1 R:R:R286 7.08 2 Yes Yes 0 6 0 1
L:L:?1 R:R:Y289 5.98 2 Yes Yes 0 4 0 1
L:L:?1 R:R:N309 7.01 2 Yes Yes 0 5 0 1
L:L:?1 R:R:E310 1.93 2 Yes Yes 0 5 0 1
R:R:E310 R:R:L57 7.95 2 Yes No 5 5 1 2
R:R:H114 R:R:R110 7.9 2 Yes Yes 5 7 2 2
R:R:F205 R:R:R110 17.1 0 Yes Yes 4 7 1 2
R:R:E310 R:R:R110 5.82 2 Yes Yes 5 7 1 2
R:R:L313 R:R:R110 2.43 2 Yes Yes 5 7 2 2
R:R:H114 R:R:Y113 13.07 2 Yes Yes 5 5 2 2
R:R:F205 R:R:Y113 6.19 0 Yes Yes 4 5 1 2
R:R:E310 R:R:H114 3.69 2 Yes Yes 5 5 1 2
R:R:K128 R:R:V124 3.04 2 Yes Yes 8 4 1 2
R:R:L194 R:R:V124 2.98 2 Yes Yes 4 4 2 2
R:R:K128 R:R:T193 4.5 2 Yes No 8 5 1 1
R:R:K128 R:R:L194 5.64 2 Yes Yes 8 4 1 2
R:R:F205 R:R:G131 4.52 0 Yes No 4 6 1 2
R:R:F134 R:R:Y135 6.19 2 Yes Yes 7 5 2 1
R:R:F134 R:R:L313 3.65 2 Yes Yes 7 5 2 2
R:R:Y135 R:R:Y139 2.98 2 Yes Yes 5 7 1 2
R:R:Y135 R:R:Y282 5.96 2 Yes Yes 5 6 1 2
R:R:R286 R:R:Y135 4.12 2 Yes Yes 6 5 1 1
R:R:N309 R:R:Y135 2.33 2 Yes Yes 5 5 1 1
R:R:L313 R:R:Y135 4.69 2 Yes Yes 5 5 2 1
R:R:F186 R:R:M136 4.98 0 Yes No 7 5 2 1
R:R:L223 R:R:Y139 17.58 0 No Yes 5 7 1 2
R:R:G184 R:R:G185 2.11 0 No No 3 4 2 1
R:R:M189 R:R:T188 3.01 2 Yes No 4 8 1 2
R:R:E216 R:R:M189 4.06 0 Yes Yes 3 4 2 1
R:R:F219 R:R:M189 8.71 2 No Yes 5 4 1 1
R:R:E216 R:R:T193 4.23 0 Yes No 3 5 2 1
R:R:C204 R:R:F205 6.98 13 No Yes 9 4 2 1
R:R:Y207 R:R:Y289 5.96 2 Yes Yes 3 4 2 1
R:R:Q293 R:R:Y207 12.4 2 Yes Yes 4 3 2 2
R:R:H306 R:R:Y207 5.44 2 Yes Yes 4 3 2 2
R:R:A217 R:R:K210 3.21 0 No No 4 3 2 1
R:R:K210 R:R:Q293 6.78 0 No Yes 3 4 1 2
R:R:I290 R:R:N220 2.83 0 No No 5 4 2 1
R:R:L223 R:R:M226 2.83 0 No No 5 5 1 2
R:R:R286 R:R:V224 3.92 2 Yes Yes 6 4 1 2
R:R:R286 R:R:Y282 12.35 2 Yes Yes 6 6 1 2
R:R:N309 R:R:Y282 5.81 2 Yes Yes 5 6 1 2
R:R:L313 R:R:Y282 7.03 2 Yes Yes 5 6 2 2
R:R:F285 R:R:Y289 3.09 2 Yes Yes 5 4 2 1
R:R:F285 R:R:V305 6.55 2 Yes No 5 4 2 2
R:R:R286 R:R:Y289 17.49 2 Yes Yes 6 4 1 1
R:R:I290 R:R:R286 2.51 0 No Yes 5 6 2 1
R:R:N309 R:R:R286 7.23 2 Yes Yes 5 6 1 1
R:R:Q293 R:R:Y289 4.51 2 Yes Yes 4 4 2 1
R:R:V305 R:R:Y289 3.79 2 No Yes 4 4 2 1
R:R:N309 R:R:Y289 13.96 2 Yes Yes 5 4 1 1
R:R:E310 R:R:H306 8.62 2 Yes Yes 5 4 1 2
R:R:L313 R:R:N309 2.75 2 Yes Yes 5 5 2 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub8.00
Average Interaction Strength6.57
Average Nodes In Shell41.00
Average Hubs In Shell25.00
Average Links In Shell64.00
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
8XBG A Orphan Orphan GPR34 Homo Sapiens S3E-LysoPS - - 3.43 2024-05-15 doi.org/10.1038/s41467-024-45046-z

A 2D representation of the interactions of KW0 in 8XBG
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:F205 R:R:R110 16.03 0 Yes Yes 4 7 1 2
R:R:F205 R:R:Y113 5.16 0 Yes Yes 4 5 1 2
R:R:K128 R:R:T193 6.01 0 No No 8 5 2 1
R:R:F205 R:R:V130 5.24 0 Yes No 4 5 1 2
R:R:F205 R:R:G131 4.52 0 Yes No 4 6 1 2
R:R:F186 R:R:T132 6.49 0 Yes No 7 5 2 2
R:R:M189 R:R:T132 4.52 0 No No 4 5 1 2
R:R:F134 R:R:Y135 5.16 0 Yes Yes 7 5 2 1
R:R:F134 R:R:L313 7.31 0 Yes Yes 7 5 2 2
R:R:Y135 R:R:Y282 7.94 1 Yes Yes 5 6 1 2
R:R:R286 R:R:Y135 9.26 1 Yes Yes 6 5 1 1
L:L:?1 R:R:Y135 25.75 1 Yes Yes 0 5 0 1
R:R:L183 R:R:M136 5.65 0 No No 4 5 2 1
R:R:F186 R:R:M136 6.22 0 Yes No 7 5 2 1
L:L:?1 R:R:M136 5.87 1 Yes No 0 5 0 1
R:R:L223 R:R:Y139 14.07 0 Yes No 5 7 1 2
L:L:?1 R:R:A182 3.74 1 Yes No 0 7 0 1
R:R:E216 R:R:M189 4.06 0 Yes No 3 4 2 1
L:L:?1 R:R:M189 13.43 1 Yes No 0 4 0 1
R:R:E216 R:R:T193 5.64 0 Yes No 3 5 2 1
L:L:?1 R:R:T193 4.38 1 Yes No 0 5 0 1
R:R:C204 R:R:F205 12.57 6 No Yes 9 4 2 1
L:L:?1 R:R:F205 6.51 1 Yes Yes 0 4 0 1
R:R:Y207 R:R:Y289 8.94 1 Yes Yes 3 4 2 1
R:R:Q293 R:R:Y207 10.15 1 No Yes 4 3 2 2
R:R:V305 R:R:Y207 3.79 1 No Yes 4 3 2 2
L:L:?1 R:R:N220 11.41 1 Yes No 0 4 0 1
L:L:?1 R:R:L223 4.11 1 Yes Yes 0 5 0 1
R:R:R286 R:R:Y282 14.4 1 Yes Yes 6 6 1 2
R:R:N309 R:R:Y282 5.81 1 Yes Yes 5 6 1 2
R:R:L313 R:R:Y282 8.21 1 Yes Yes 5 6 2 2
R:R:R286 R:R:Y289 11.32 1 Yes Yes 6 4 1 1
R:R:N309 R:R:R286 6.03 1 Yes Yes 5 6 1 1
L:L:?1 R:R:R286 7.93 1 Yes Yes 0 6 0 1
R:R:Q293 R:R:Y289 7.89 1 No Yes 4 4 2 1
R:R:V305 R:R:Y289 5.05 1 No Yes 4 4 2 1
R:R:N309 R:R:Y289 13.96 1 Yes Yes 5 4 1 1
L:L:?1 R:R:Y289 4.87 1 Yes Yes 0 4 0 1
R:R:L313 R:R:N309 5.49 1 Yes Yes 5 5 2 1
L:L:?1 R:R:N309 6.52 1 Yes Yes 0 5 0 1
R:R:F219 R:R:L223 3.65 0 No Yes 5 5 2 1
R:R:I290 R:R:N220 2.83 0 No No 5 4 2 1
R:R:L223 R:R:M226 2.83 0 Yes No 5 5 1 2
R:R:R286 R:R:V224 2.62 1 Yes No 6 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.59
Average Nodes In Shell33.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00
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 Links12.67
Average Number Of Links With An Hub6.33
Average Interaction Strength7.33
Average Nodes In Shell35.00
Average Hubs In Shell17.67
Average Links In Shell49.67
Average Links Mediated by Hubs In Shell45.00

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 🔍)