CodeKW3
Name(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid
Synonyms
Identifier(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid
FormulaC30 H36 N O11 P
Molecular Weight617.581
SMILESCCOC[C@H](COC(=O)CCc1ccccc1OCc2cccc(c2)Oc3ccccc3)OP(=O)(O)OC[C@@H](C(=O)O)N
PubChem162656636
Formal Charge0
Total Atoms79
Total Chiral Atoms2
Total Bonds81
Total Aromatic Bonds18
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
8XBH A Orphan A orphans GPR34 Homo Sapiens S3E-LysoPS - Gi1/Beta1/Gamma2 2.83 2023-12-27 To be published

A 2D representation of the interactions of KW3 in 8XBH
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:R110 R:R:Y61 9.26 2 Yes Yes 7 8 2 2
R:R:L313 R:R:Y61 3.52 2 Yes Yes 5 8 1 2
R:R:F205 R:R:R110 28.86 0 Yes Yes 4 7 1 2
R:R:L313 R:R:R110 2.43 2 Yes Yes 5 7 1 2
R:R:F205 R:R:Y113 8.25 0 Yes Yes 4 5 1 2
R:R:K128 R:R:R208 2.48 0 Yes Yes 8 5 2 1
R:R:F205 R:R:V130 3.93 0 Yes No 4 5 1 2
L:L:?1 R:R:G131 2.84 2 Yes No 0 6 0 1
R:R:F186 R:R:T132 6.49 2 Yes No 7 5 2 1
L:L:?1 R:R:T132 4.89 2 Yes No 0 5 0 1
R:R:L133 R:R:M136 4.24 2 Yes Yes 5 5 2 1
R:R:L133 R:R:N137 4.12 2 Yes No 5 8 2 2
R:R:F186 R:R:L133 4.87 2 Yes Yes 7 5 2 2
R:R:F134 R:R:Y135 11.35 2 Yes Yes 7 5 2 1
R:R:F134 R:R:L313 2.44 2 Yes Yes 7 5 2 1
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:L313 R:R:Y135 5.86 2 Yes Yes 5 5 1 1
L:L:?1 R:R:Y135 20.11 2 Yes Yes 0 5 0 1
R:R:M136 R:R:N137 7.01 2 Yes No 5 8 1 2
R:R:I140 R:R:M136 2.92 0 Yes Yes 7 5 2 1
R:R:L183 R:R:M136 2.83 0 No Yes 4 5 2 1
R:R:F186 R:R:M136 2.49 2 Yes Yes 7 5 2 1
L:L:?1 R:R:M136 7.04 2 Yes Yes 0 5 0 1
R:R:L223 R:R:Y139 19.93 2 Yes Yes 5 7 1 2
R:R:A182 R:R:I140 3.25 0 No Yes 7 7 1 2
L:L:?1 R:R:A182 2.62 2 Yes No 0 7 0 1
R:R:F219 R:R:M189 8.71 2 No No 5 4 1 1
L:L:?1 R:R:M189 4.69 2 Yes No 0 4 0 1
R:R:C204 R:R:F205 9.78 2 No Yes 9 4 2 1
L:L:?1 R:R:F205 2.7 2 Yes Yes 0 4 0 1
R:R:H206 R:R:R208 7.9 0 No Yes 5 5 2 1
R:R:Y207 R:R:Y289 7.94 2 Yes Yes 3 4 2 1
R:R:Q293 R:R:Y207 9.02 2 No Yes 4 3 2 2
R:R:K210 R:R:R208 4.95 2 Yes Yes 3 5 2 1
L:L:?1 R:R:R208 18.82 2 Yes Yes 0 5 0 1
R:R:K210 R:R:Q293 13.56 2 Yes No 3 4 2 2
R:R:F219 R:R:L223 3.65 2 No Yes 5 5 1 1
L:L:?1 R:R:F219 7.41 2 Yes No 0 5 0 1
R:R:N220 R:R:R286 16.87 2 No Yes 4 6 1 1
R:R:I290 R:R:N220 7.08 2 No No 5 4 2 1
L:L:?1 R:R:N220 6.08 2 Yes No 0 4 0 1
R:R:L223 R:R:M226 2.83 2 Yes No 5 5 1 2
L:L:?1 R:R:L223 8.42 2 Yes Yes 0 5 0 1
R:R:R286 R:R:V224 2.62 2 Yes Yes 6 4 1 2
R:R:R286 R:R:Y282 12.35 2 Yes Yes 6 6 1 2
R:R:L313 R:R:Y282 7.03 2 Yes Yes 5 6 1 2
R:R:R286 R:R:Y289 10.29 2 Yes Yes 6 4 1 1
R:R:I290 R:R:R286 5.01 2 No Yes 5 6 2 1
R:R:N309 R:R:R286 4.82 2 Yes Yes 5 6 1 1
L:L:?1 R:R:R286 4.71 2 Yes Yes 0 6 0 1
R:R:Q293 R:R:Y289 6.76 2 No Yes 4 4 2 1
R:R:V305 R:R:Y289 3.79 2 Yes Yes 4 4 2 1
R:R:N309 R:R:Y289 18.61 2 Yes Yes 5 4 1 1
L:L:?1 R:R:Y289 5.84 2 Yes Yes 0 4 0 1
R:R:L313 R:R:N309 5.49 2 Yes Yes 5 5 1 1
L:L:?1 R:R:N309 7.6 2 Yes Yes 0 5 0 1
L:L:?1 R:R:L313 3.06 2 Yes Yes 0 5 0 1
L:L:?1 R:R:L181 2.3 2 Yes No 0 4 0 1
R:R:G184 R:R:G185 2.11 0 No No 3 4 2 1
L:L:?1 R:R:G185 1.89 2 Yes No 0 4 0 1
R:R:G185 R:R:T188 1.82 0 No No 4 8 1 2
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub9.00
Average Interaction Strength6.53
Average Nodes In Shell42.00
Average Hubs In Shell24.00
Average Links In Shell62.00
Average Links Mediated by Hubs In Shell58.00
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
8XBI A Orphan A orphans GPR34 Homo Sapiens S3E-LysoPS - - 3.06 2023-12-27 To be published

A 2D representation of the interactions of KW3 in 8XBI
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:K128 R:R:R208 6.19 0 Yes Yes 8 5 2 1
R:R:F186 R:R:T132 6.49 1 Yes No 7 5 2 1
L:L:?1 R:R:T132 4.98 1 Yes No 0 5 0 1
R:R:L133 R:R:M136 4.24 1 Yes No 5 5 2 1
R:R:F186 R:R:L133 4.87 1 Yes Yes 7 5 2 2
R:R:F134 R:R:Y135 6.19 0 No Yes 7 5 2 1
R:R:Y135 R:R:Y282 5.96 1 Yes Yes 5 6 1 2
R:R:R286 R:R:Y135 5.14 1 Yes Yes 6 5 1 1
R:R:L313 R:R:Y135 4.69 1 No Yes 5 5 2 1
L:L:?1 R:R:Y135 21.12 1 Yes Yes 0 5 0 1
R:R:F186 R:R:M136 9.95 1 Yes No 7 5 2 1
L:L:?1 R:R:M136 6.37 1 Yes No 0 5 0 1
R:R:L223 R:R:Y139 19.93 0 No No 5 7 1 2
R:R:H206 R:R:R208 7.9 0 No Yes 5 5 2 1
R:R:Y207 R:R:Y289 7.94 1 No Yes 3 4 2 1
R:R:Q293 R:R:Y207 5.64 1 No No 4 3 2 2
R:R:K210 R:R:R208 4.95 0 Yes Yes 3 5 2 1
L:L:?1 R:R:R208 17.1 1 Yes Yes 0 5 0 1
R:R:K210 R:R:Q293 13.56 0 Yes No 3 4 2 2
L:L:?1 R:R:F219 9.6 1 Yes No 0 5 0 1
R:R:N220 R:R:R286 12.05 1 No Yes 4 6 1 1
R:R:I290 R:R:N220 4.25 1 No No 5 4 2 1
L:L:?1 R:R:N220 6.18 1 Yes No 0 4 0 1
R:R:L223 R:R:M226 4.24 0 No No 5 5 1 2
L:L:?1 R:R:L223 7.79 1 Yes No 0 5 0 1
R:R:R286 R:R:Y282 11.32 1 Yes Yes 6 6 1 2
R:R:L313 R:R:Y282 8.21 1 No Yes 5 6 2 2
R:R:R286 R:R:Y289 10.29 1 Yes Yes 6 4 1 1
R:R:I290 R:R:R286 5.01 1 No Yes 5 6 2 1
R:R:N309 R:R:R286 9.64 1 No Yes 5 6 1 1
L:L:?1 R:R:R286 4.1 1 Yes Yes 0 6 0 1
R:R:Q293 R:R:Y289 6.76 1 No Yes 4 4 2 1
R:R:V305 R:R:Y289 5.05 0 Yes Yes 4 4 2 1
R:R:N309 R:R:Y289 18.61 1 No Yes 5 4 1 1
L:L:?1 R:R:Y289 4.62 1 Yes Yes 0 4 0 1
L:L:?1 R:R:N309 6.18 1 Yes No 0 5 0 1
L:L:?1 R:R:G131 2.89 1 Yes No 0 6 0 1
L:L:?1 R:R:L181 2.34 1 Yes No 0 4 0 1
R:R:G184 R:R:G185 2.11 0 No No 3 4 2 1
L:L:?1 R:R:G185 1.93 1 Yes No 0 4 0 1
R:R:G185 R:R:T188 1.82 0 No No 4 8 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.32
Average Nodes In Shell30.00
Average Hubs In Shell11.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell35.00
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 Links15.00
Average Number Of Links With An Hub6.50
Average Interaction Strength6.93
Average Nodes In Shell36.00
Average Hubs In Shell17.50
Average Links In Shell51.50
Average Links Mediated by Hubs In Shell46.50

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 🔍)