CodeWJS
Name(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
Synonyms
Identifier
FormulaC24 H20 N O9 P
Molecular Weight497.391
SMILES
PubChem
Formal Charge0
Total Atoms55
Total Chiral Atoms2
Total Bonds54
Total Aromatic Bonds0
Networks4
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This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7XV3 A Orphan Orphan GPR174 Homo Sapiens Lysophosphatidylserine - chim(NtGi1-Gs)/Beta1/Gamma2 2.76 2023-02-15 doi.org/10.1038/s41467-023-36575-0

A 2D representation of the interactions of WJS in 7XV3
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:R18 R:R:Y22 4.12 2 Yes Yes 4 6 2 1
R:R:R18 R:R:V170 2.62 2 Yes Yes 4 5 2 1
R:R:R18 R:R:S275 2.64 2 Yes No 4 4 2 2
R:R:Y19 R:R:Y78 3.97 2 Yes Yes 5 5 2 2
R:R:Y19 R:R:Y79 8.94 2 Yes Yes 5 5 2 1
R:R:V170 R:R:Y19 3.79 2 Yes Yes 5 5 1 2
R:R:D171 R:R:Y19 4.6 2 No Yes 4 5 2 2
R:R:Y22 R:R:Y26 3.97 2 Yes Yes 6 8 1 1
R:R:Y22 R:R:Y79 9.93 2 Yes Yes 6 5 1 1
R:R:S275 R:R:Y22 7.63 2 No Yes 4 6 2 1
R:R:L278 R:R:Y22 2.34 0 No Yes 5 6 2 1
R:R:C279 R:R:Y22 2.69 0 No Yes 5 6 2 1
L:L:?1 R:R:Y22 3.61 2 Yes Yes 0 6 0 1
R:R:L72 R:R:Y26 7.03 2 No Yes 8 8 2 1
R:R:R75 R:R:Y26 4.12 2 Yes Yes 6 8 1 1
R:R:I76 R:R:Y26 2.42 0 No Yes 7 8 2 1
R:R:K98 R:R:Y26 3.58 2 Yes Yes 6 8 2 1
L:L:?1 R:R:Y26 2.71 2 Yes Yes 0 8 0 1
R:R:R75 R:R:S71 2.64 2 Yes No 6 7 1 2
R:R:L72 R:R:R75 2.43 2 No Yes 8 6 2 1
R:R:R75 R:R:Y79 2.06 2 Yes Yes 6 5 1 1
R:R:K98 R:R:R75 9.9 2 Yes Yes 6 6 2 1
R:R:F169 R:R:R75 13.9 2 Yes Yes 4 6 2 1
L:L:?1 R:R:R75 8.41 2 Yes Yes 0 6 0 1
R:R:Y78 R:R:Y79 1.99 2 Yes Yes 5 5 2 1
R:R:F169 R:R:Y78 3.09 2 Yes Yes 4 5 2 2
R:R:D171 R:R:Y78 5.75 2 No Yes 4 5 2 2
R:R:F169 R:R:Y79 3.09 2 Yes Yes 4 5 2 1
R:R:V170 R:R:Y79 7.57 2 Yes Yes 5 5 1 1
L:L:?1 R:R:Y79 5.41 2 Yes Yes 0 5 0 1
R:R:F95 R:R:Y99 3.09 2 No Yes 5 4 1 1
R:R:F95 R:R:R156 7.48 2 No Yes 5 5 1 1
L:L:?1 R:R:F95 8.44 2 Yes No 0 5 0 1
R:R:K98 R:R:Y99 2.39 2 Yes Yes 6 4 2 1
R:R:M102 R:R:Y99 2.39 0 No Yes 7 4 2 1
R:R:F152 R:R:Y99 11.35 2 No Yes 3 4 1 1
L:L:?1 R:R:Y99 11.73 2 Yes Yes 0 4 0 1
R:R:F243 R:R:M102 2.49 0 Yes No 9 7 2 2
R:R:I106 R:R:Y103 2.42 2 Yes No 7 7 1 1
R:R:H247 R:R:Y103 6.53 0 Yes No 8 7 2 1
L:L:?1 R:R:Y103 8.12 2 Yes No 0 7 0 1
R:R:I106 R:R:P197 3.39 2 Yes No 7 9 1 2
R:R:F243 R:R:I106 11.3 0 Yes Yes 9 7 2 1
L:L:?1 R:R:I106 2.2 2 Yes Yes 0 7 0 1
R:R:I145 R:R:Y107 2.42 0 No Yes 8 5 1 2
L:L:?1 R:R:I145 3.3 2 Yes No 0 8 0 1
L:L:?1 R:R:F152 9.37 2 Yes No 0 3 0 1
R:R:L155 R:R:M185 2.83 2 No No 4 4 1 2
R:R:F254 R:R:L155 2.44 2 Yes No 4 4 1 1
L:L:?1 R:R:L155 2.13 2 Yes No 0 4 0 1
R:R:L172 R:R:R156 6.07 0 No Yes 4 5 2 1
R:R:R156 R:R:T174 3.88 2 Yes No 5 3 1 2
R:R:K257 R:R:R156 7.43 2 Yes Yes 5 5 1 1
L:L:?1 R:R:R156 11.22 2 Yes Yes 0 5 0 1
R:R:D171 R:R:V170 4.38 2 No Yes 4 5 2 1
L:L:?1 R:R:V170 3.44 2 Yes Yes 0 5 0 1
R:R:F254 R:R:T174 2.59 2 Yes No 4 3 1 2
R:R:K257 R:R:T174 3 2 Yes No 5 3 1 2
R:R:F254 R:R:M186 7.46 2 Yes No 4 4 1 2
R:R:E190 R:R:H247 6.15 0 No Yes 5 8 2 2
R:R:E190 R:R:F250 5.83 0 No Yes 5 5 2 1
R:R:H247 R:R:Y246 7.62 0 Yes Yes 8 6 2 1
R:R:F250 R:R:Y246 6.19 2 Yes Yes 5 6 1 1
R:R:H274 R:R:Y246 7.62 2 Yes Yes 5 6 1 1
R:R:L278 R:R:Y246 4.69 0 No Yes 5 6 2 1
L:L:?1 R:R:Y246 3.61 2 Yes Yes 0 6 0 1
R:R:H274 R:R:S249 6.97 2 Yes No 5 4 1 2
R:R:F250 R:R:P251 4.33 2 Yes No 5 6 1 2
R:R:F250 R:R:H274 2.26 2 Yes Yes 5 5 1 1
L:L:?1 R:R:F250 5.62 2 Yes Yes 0 5 0 1
R:R:D253 R:R:K257 5.53 0 No Yes 4 5 2 1
R:R:D253 R:R:H274 22.69 0 No Yes 4 5 2 1
L:L:?1 R:R:F254 4.69 2 Yes Yes 0 4 0 1
L:L:?1 R:R:K257 8.68 2 Yes Yes 0 5 0 1
L:L:?1 R:R:H274 5.94 2 Yes Yes 0 5 0 1
R:R:C149 R:R:I145 1.64 0 No No 7 8 2 1
R:R:I188 R:R:I192 1.47 0 No No 4 4 2 1
R:R:A281 R:R:Y246 1.33 0 No Yes 8 6 2 1
L:L:?1 R:R:G189 1.32 2 Yes No 0 5 0 1
L:L:?1 R:R:G193 1.32 2 Yes No 0 5 0 1
L:L:?1 R:R:I192 1.1 2 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links21.00
Average Number Of Links With An Hub13.00
Average Interaction Strength5.35
Average Nodes In Shell50.00
Average Hubs In Shell22.00
Average Links In Shell81.00
Average Links Mediated by Hubs In Shell78.00
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
8KGG A Nucleotide P2Y P2Y10 Homo Sapiens LPS - chim(NtGi2-G13)/Beta1/Gamma2 3.06 2024-07-31 doi.org/10.1016/j.chembiol.2024.08.005

A 2D representation of the interactions of WJS in 8KGG
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:Q33 R:R:Y34 4.51 1 Yes Yes 5 4 2 2
R:R:Q33 R:R:Y37 9.02 1 Yes Yes 5 6 2 1
R:R:P288 R:R:Q33 4.74 1 Yes Yes 5 5 2 2
R:R:Y34 R:R:Y94 9.93 1 Yes Yes 4 5 2 1
R:R:A183 R:R:Y34 2.67 1 No Yes 5 4 2 2
R:R:Y37 R:R:Y41 3.97 1 Yes Yes 6 8 1 1
R:R:Y37 R:R:Y94 8.94 1 Yes Yes 6 5 1 1
R:R:P288 R:R:Y37 8.34 1 Yes Yes 5 6 2 1
R:R:L291 R:R:Y37 4.69 1 Yes Yes 6 6 1 1
L:L:?1 R:R:Y37 3.77 1 Yes Yes 0 6 0 1
R:R:L87 R:R:Y41 8.21 0 No Yes 8 8 2 1
R:R:R90 R:R:Y41 5.14 1 Yes Yes 6 8 1 1
R:R:I91 R:R:Y41 2.42 0 No Yes 7 8 2 1
R:R:K113 R:R:Y41 2.39 1 Yes Yes 6 8 1 1
L:L:?1 R:R:Y41 4.71 1 Yes Yes 0 8 0 1
R:R:H83 R:R:K113 6.55 0 Yes Yes 7 6 2 1
R:R:R90 R:R:S86 5.27 1 Yes No 6 6 1 2
R:R:C109 R:R:L89 3.17 1 No No 5 6 2 2
R:R:F182 R:R:L89 2.44 1 Yes No 4 6 1 2
R:R:R90 R:R:Y94 3.09 1 Yes Yes 6 5 1 1
R:R:K113 R:R:R90 11.14 1 Yes Yes 6 6 1 1
R:R:F182 R:R:R90 11.76 1 Yes Yes 4 6 1 1
L:L:?1 R:R:R90 15.63 1 Yes Yes 0 6 0 1
R:R:Y93 R:R:Y94 1.99 0 No Yes 5 5 2 1
R:R:C181 R:R:Y93 4.03 1 Yes No 9 5 2 2
R:R:A183 R:R:Y94 4 1 No Yes 5 5 2 1
L:L:?1 R:R:Y94 5.66 1 Yes Yes 0 5 0 1
R:R:C106 R:R:C181 7.28 1 No Yes 9 9 2 2
R:R:C106 R:R:F182 5.59 1 No Yes 9 4 2 1
R:R:C109 R:R:F182 4.19 1 No Yes 5 4 2 1
R:R:F110 R:R:Y114 2.06 1 Yes No 5 5 1 1
R:R:F110 R:R:R171 4.28 1 Yes Yes 5 4 1 1
R:R:F110 R:R:F182 3.22 1 Yes Yes 5 4 1 1
L:L:?1 R:R:F110 4.9 1 Yes Yes 0 5 0 1
R:R:K113 R:R:S295 3.06 1 Yes No 6 7 1 2
L:L:?1 R:R:K113 2.27 1 Yes Yes 0 6 0 1
R:R:F167 R:R:Y114 3.09 1 No No 4 5 1 1
L:L:?1 R:R:Y114 13.2 1 Yes No 0 5 0 1
R:R:I121 R:R:Y118 2.42 0 No No 8 7 2 1
R:R:H260 R:R:Y118 6.53 0 Yes No 8 7 2 1
L:L:?1 R:R:Y118 5.66 1 Yes No 0 7 0 1
R:R:C122 R:R:I156 3.27 0 No No 6 7 1 2
L:L:?1 R:R:C122 2.55 1 Yes No 0 6 0 1
L:L:?1 R:R:V160 5.99 1 Yes No 0 8 0 1
R:R:M198 R:R:P166 3.35 1 No No 5 8 1 1
L:L:?1 R:R:P166 2.64 1 Yes No 0 8 0 1
L:L:?1 R:R:F167 14.69 1 Yes No 0 4 0 1
R:R:L185 R:R:R171 4.86 1 No Yes 5 4 2 1
R:R:R171 R:R:Y187 25.72 1 Yes Yes 4 5 1 2
L:L:?1 R:R:R171 6.84 1 Yes Yes 0 4 0 1
R:R:C181 R:R:F182 8.38 1 Yes Yes 9 4 2 1
L:L:?1 R:R:F182 2.94 1 Yes Yes 0 4 0 1
R:R:Y187 R:R:Y266 1.99 1 Yes Yes 5 5 2 1
R:R:K270 R:R:Y187 13.14 1 No Yes 3 5 2 2
L:L:?1 R:R:M198 4.55 1 Yes No 0 5 0 1
R:R:F263 R:R:I199 6.28 1 Yes Yes 7 5 1 2
R:R:I199 R:R:T267 4.56 1 Yes No 5 5 2 1
L:L:?1 R:R:A202 5.07 1 Yes No 0 6 0 1
R:R:E203 R:R:F263 2.33 0 No Yes 5 7 2 1
R:R:H260 R:R:Y259 2.18 0 Yes Yes 8 7 2 2
R:R:F263 R:R:Y259 6.19 1 Yes Yes 7 7 1 2
R:R:H287 R:R:Y259 2.18 1 Yes Yes 5 7 1 2
R:R:L291 R:R:Y259 2.34 1 Yes Yes 6 7 1 2
R:R:H287 R:R:N262 3.83 1 Yes Yes 5 5 1 2
R:R:F263 R:R:T267 6.49 1 Yes No 7 5 1 1
L:L:?1 R:R:F263 1.96 1 Yes Yes 0 7 0 1
R:R:K270 R:R:Y266 9.55 1 No Yes 3 5 2 1
R:R:L284 R:R:Y266 2.34 0 No Yes 4 5 2 1
R:R:H287 R:R:Y266 30.49 1 Yes Yes 5 5 1 1
L:L:?1 R:R:Y266 7.54 1 Yes Yes 0 5 0 1
L:L:?1 R:R:T267 2.37 1 Yes No 0 5 0 1
R:R:H287 R:R:P288 3.05 1 Yes Yes 5 5 1 2
R:R:H287 R:R:L291 7.71 1 Yes Yes 5 6 1 1
L:L:?1 R:R:H287 9.31 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L291 10.02 1 Yes Yes 0 6 0 1
R:R:C164 R:R:V160 1.71 0 No No 7 8 2 1
R:R:L165 R:R:P166 1.64 0 No No 4 8 2 1
R:R:A38 R:R:Y94 1.33 0 No Yes 5 5 2 1
L:L:?1 R:R:A163 1.27 1 Yes No 0 5 0 1
L:L:?1 R:R:A205 1.27 1 Yes No 0 4 0 1
L:L:?1 R:R:V159 1.2 1 Yes No 0 3 0 1
StatisticsValue
Average Number Of Links24.00
Average Number Of Links With An Hub12.00
Average Interaction Strength5.67
Average Nodes In Shell53.00
Average Hubs In Shell23.00
Average Links In Shell81.00
Average Links Mediated by Hubs In Shell74.00
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 Links21.25
Average Number Of Links With An Hub10.75
Average Interaction Strength5.65
Average Nodes In Shell47.50
Average Hubs In Shell18.75
Average Links In Shell71.75
Average Links Mediated by Hubs In Shell65.75

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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 🔍)