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(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
FormulaC24 H20 N O9 P
Molecular Weight497.391
SMILES[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O
PubChem
Formal Charge0
Total Atoms55
Total Chiral Atoms2
Total Bonds54
Total Aromatic Bonds0
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7XV3 A Orphan A orphans GPR174 Homo sapiens Lysophosphatidylserine - chim(NtGi1-Gs)/Beta1/Gamma2 2.76 2023-02-15 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 1 Yes Yes 4 6 2 1
R:R:R18 R:R:V170 2.62 1 Yes Yes 4 5 2 1
R:R:R18 R:R:S275 2.64 1 Yes No 4 4 2 2
R:R:Y19 R:R:Y78 3.97 1 Yes Yes 5 5 2 2
R:R:Y19 R:R:Y79 8.94 1 Yes Yes 5 5 2 1
R:R:V170 R:R:Y19 3.79 1 Yes Yes 5 5 1 2
R:R:D171 R:R:Y19 4.6 1 No Yes 4 5 2 2
R:R:Y22 R:R:Y26 3.97 1 Yes Yes 6 8 1 1
R:R:Y22 R:R:Y79 9.93 1 Yes Yes 6 5 1 1
R:R:S275 R:R:Y22 7.63 1 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 3.77 1 Yes Yes 0 6 0 1
R:R:L72 R:R:Y26 7.03 1 No Yes 8 8 2 1
R:R:R75 R:R:Y26 4.12 1 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 1 Yes Yes 6 8 2 1
L:L:?1 R:R:Y26 2.83 1 Yes Yes 0 8 0 1
R:R:R75 R:R:S71 2.64 1 Yes No 6 7 1 2
R:R:L72 R:R:R75 2.43 1 No Yes 8 6 2 1
R:R:R75 R:R:Y79 2.06 1 Yes Yes 6 5 1 1
R:R:K98 R:R:R75 9.9 1 Yes Yes 6 6 2 1
R:R:F169 R:R:R75 13.9 1 Yes Yes 4 6 2 1
L:L:?1 R:R:R75 8.79 1 Yes Yes 0 6 0 1
R:R:Y78 R:R:Y79 1.99 1 Yes Yes 5 5 2 1
R:R:F169 R:R:Y78 3.09 1 Yes Yes 4 5 2 2
R:R:D171 R:R:Y78 5.75 1 No Yes 4 5 2 2
R:R:F169 R:R:Y79 3.09 1 Yes Yes 4 5 2 1
R:R:V170 R:R:Y79 7.57 1 Yes Yes 5 5 1 1
L:L:?1 R:R:Y79 5.66 1 Yes Yes 0 5 0 1
R:R:F95 R:R:Y99 3.09 1 No Yes 5 4 1 1
R:R:F95 R:R:R156 7.48 1 No Yes 5 5 1 1
L:L:?1 R:R:F95 8.82 1 Yes No 0 5 0 1
R:R:K98 R:R:Y99 2.39 1 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 1 No Yes 3 4 1 1
L:L:?1 R:R:Y99 12.26 1 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 1 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 8.49 1 Yes No 0 7 0 1
R:R:I106 R:R:P197 3.39 1 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 2.3 1 Yes Yes 0 7 0 1
R:R:F108 R:R:Y107 8.25 1 Yes Yes 7 5 2 1
R:R:C111 R:R:Y107 2.69 0 No Yes 6 5 2 1
R:R:I137 R:R:Y107 2.42 0 No Yes 5 5 2 1
R:R:G141 R:R:Y107 5.79 0 No Yes 7 5 2 1
R:R:I145 R:R:Y107 2.42 1 No Yes 8 5 1 1
L:L:?1 R:R:Y107 1.89 1 Yes Yes 0 5 0 1
L:L:?1 R:R:I145 3.44 1 Yes No 0 8 0 1
L:L:?1 R:R:F152 9.8 1 Yes No 0 3 0 1
R:R:L155 R:R:M185 2.83 1 No No 4 4 1 2
R:R:F254 R:R:L155 2.44 1 Yes No 4 4 1 1
L:L:?1 R:R:L155 2.23 1 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 1 Yes No 5 3 1 2
R:R:K257 R:R:R156 7.43 1 Yes Yes 5 5 1 1
L:L:?1 R:R:R156 11.73 1 Yes Yes 0 5 0 1
R:R:D171 R:R:V170 4.38 1 No Yes 4 5 2 1
L:L:?1 R:R:V170 3.59 1 Yes Yes 0 5 0 1
R:R:F254 R:R:T174 2.59 1 Yes No 4 3 1 2
R:R:K257 R:R:T174 3 1 Yes No 5 3 1 2
R:R:F254 R:R:M186 7.46 1 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 1 Yes Yes 5 6 1 1
R:R:H274 R:R:Y246 7.62 1 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 3.77 1 Yes Yes 0 6 0 1
R:R:H274 R:R:S249 6.97 1 Yes No 5 4 1 2
R:R:F250 R:R:P251 4.33 1 Yes No 5 6 1 2
R:R:F250 R:R:H274 2.26 1 Yes Yes 5 5 1 1
L:L:?1 R:R:F250 5.88 1 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 4.9 1 Yes Yes 0 4 0 1
L:L:?1 R:R:K257 9.07 1 Yes Yes 0 5 0 1
L:L:?1 R:R:H274 6.2 1 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
L:L:?1 R:R:G189 1.38 1 Yes No 0 5 0 1
L:L:?1 R:R:G193 1.38 1 Yes No 0 5 0 1
R:R:A281 R:R:Y246 1.33 0 No Yes 8 6 2 1
L:L:?1 R:R:I192 1.15 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links22.00
Average Number Of Links With An Hub14.00
Average Interaction Strength5.42
Average Nodes In Shell54.00
Average Hubs In Shell23.00
Average Links In Shell86.00
Average Links Mediated by Hubs In Shell83.00
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 Links22.00
Average Number Of Links With An Hub14.00
Average Interaction Strength5.42
Average Nodes In Shell54.00
Average Hubs In Shell23.00
Average Links In Shell86.00
Average Links Mediated by Hubs In Shell83.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)