CodeON3
Name1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid
SynonymsONO-3080573
Identifier1-[4-[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methyl-phenyl)-3-oxidanyl-propoxy]phenyl]cyclopropane-1-carboxylic acid
FormulaC31 H34 O7
Molecular Weight518.597
SMILESCc1c(cc(cc1OC)[C@H]([C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC
PubChem91799238
Formal Charge0
Total Atoms72
Total Chiral Atoms2
Total Bonds76
Total Aromatic Bonds18
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
4Z36 A Lipid Lysophospholipid (LPA) LPA1 Homo sapiens ONO-3080573 - - 2.9 2015-06-03 10.1016/j.cell.2015.06.002

A 2D representation of the interactions of ON3 in 4Z36
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:E293 R:R:K39 9.45 1 No No 4 8 1 2
L:L:?1 R:R:V52 4.53 1 Yes No 0 5 0 1
R:R:G56 R:R:M106 5.24 0 No No 6 6 2 1
R:R:I128 R:R:L105 5.71 0 No No 6 6 1 2
R:R:E301 R:R:M106 4.06 0 No No 7 6 2 1
L:L:?1 R:R:T109 8.97 1 Yes No 0 5 0 1
R:R:Q125 R:R:W121 9.86 1 No Yes 4 9 1 2
R:R:W121 R:R:Y202 5.79 1 Yes Yes 9 4 2 2
R:R:Q125 R:R:Y202 9.02 1 No Yes 4 4 1 2
L:L:?1 R:R:Q125 12.96 1 Yes No 0 4 0 1
L:L:?1 R:R:I128 4.34 1 Yes No 0 6 0 1
R:R:D129 R:R:Y202 5.75 1 Yes Yes 5 4 1 2
R:R:D129 R:R:W210 6.7 1 Yes Yes 5 6 1 1
L:L:?1 R:R:D129 5.78 1 Yes Yes 0 5 0 1
R:R:L132 R:R:N214 5.49 0 No Yes 7 7 2 2
R:R:L132 R:R:W271 14.81 0 No Yes 7 8 2 1
R:R:T133 R:R:W210 6.06 0 No Yes 6 6 2 1
R:R:L277 R:R:M198 7.07 0 No Yes 4 3 2 1
R:R:D281 R:R:M198 8.32 0 No Yes 4 3 2 1
R:R:E293 R:R:M198 8.12 1 No Yes 4 3 1 1
L:L:?1 R:R:M198 6.88 1 Yes Yes 0 3 0 1
R:R:Y202 R:R:Y206 4.96 1 Yes Yes 4 7 2 2
R:R:W210 R:R:Y206 10.61 1 Yes Yes 6 7 1 2
R:R:L207 R:R:L278 4.15 0 No No 6 6 2 1
R:R:N214 R:R:W210 7.91 0 Yes Yes 7 6 2 1
L:L:?1 R:R:W210 5.55 1 Yes Yes 0 6 0 1
R:R:F267 R:R:W271 17.04 0 Yes Yes 9 8 2 1
R:R:C270 R:R:W271 3.92 0 No Yes 9 8 2 1
R:R:A300 R:R:W271 10.37 0 No Yes 7 8 2 1
L:L:?1 R:R:W271 6.24 1 Yes Yes 0 8 0 1
R:R:F296 R:R:G274 4.52 0 Yes No 5 5 2 1
L:L:?1 R:R:G274 6.25 1 Yes No 0 5 0 1
R:R:F296 R:R:L277 9.74 0 Yes No 5 4 2 2
L:L:?1 R:R:L278 10.95 1 Yes No 0 6 0 1
L:L:?1 R:R:E293 13.71 1 Yes No 0 4 0 1
L:L:?1 R:R:K294 12.02 1 Yes No 0 4 0 1
L:L:?1 R:R:L297 20.22 1 Yes No 0 6 0 1
L:L:?1 R:R:M106 3.44 1 Yes No 0 6 0 1
R:R:L298 R:R:V52 2.98 0 No No 6 5 2 1
R:R:G110 R:R:T109 1.82 0 No No 5 5 2 1
R:R:D129 R:R:G126 1.68 1 Yes No 5 6 1 2
R:R:A211 R:R:L278 1.58 0 No No 4 6 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.70
Average Nodes In Shell36.00
Average Hubs In Shell11.00
Average Links In Shell42.00
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 🔍)
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.70
Average Nodes In Shell36.00
Average Hubs In Shell11.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)