CodeON9
Name3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid
SynonymsONO-9910539
Identifier3-[1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(4-ethanoyl-3,5-dimethoxy-phenyl)-3-oxidanyl-propyl]-4-methoxycarbonyl-pyrrol-3-yl]propanoic acid
FormulaC32 H37 N O8
Molecular Weight563.638
SMILESCC(=O)c1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC
PubChem91799237
Formal Charge0
Total Atoms78
Total Chiral Atoms2
Total Bonds81
Total Aromatic Bonds17
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
4Z35 A Lipid Lysophospholipid (LPA) LPA1 Homo sapiens ONO-9910539 - - 2.9 2015-06-03 10.1016/j.cell.2015.06.002

A 2D representation of the interactions of ON9 in 4Z35
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:I30 R:R:Y34 6.04 0 No Yes 6 6 2 1
R:R:K39 R:R:Y34 9.55 1 No Yes 8 6 1 1
R:R:T113 R:R:Y34 4.99 1 No Yes 5 6 1 1
R:R:W121 R:R:Y34 9.65 1 Yes Yes 9 6 2 1
R:R:P200 R:R:Y34 18.08 1 No Yes 6 6 2 1
L:L:?1 R:R:Y34 5.27 1 Yes Yes 0 6 0 1
R:R:E293 R:R:K39 9.45 1 Yes No 4 8 1 1
L:L:?1 R:R:K39 4.75 1 Yes No 0 8 0 1
R:R:I128 R:R:Y102 4.84 0 No No 6 7 1 2
R:R:L105 R:R:R124 4.86 0 No Yes 6 6 2 1
R:R:I128 R:R:L105 5.71 0 No No 6 6 1 2
L:L:?1 R:R:T109 4.14 1 Yes No 0 5 0 1
L:L:?1 R:R:T113 5.8 1 Yes No 0 5 0 1
R:R:L116 R:R:R124 4.86 0 No Yes 6 6 2 1
R:R:R124 R:R:W121 10 0 Yes Yes 6 9 1 2
R:R:Q125 R:R:W121 10.95 1 No Yes 4 9 1 2
R:R:P200 R:R:W121 4.05 1 No Yes 6 9 2 2
R:R:W121 R:R:Y202 5.79 1 Yes Yes 9 4 2 2
L:L:?1 R:R:R124 4.78 1 Yes Yes 0 6 0 1
R:R:Q125 R:R:Y202 9.02 1 No Yes 4 4 1 2
L:L:?1 R:R:Q125 13.46 1 Yes No 0 4 0 1
L:L:?1 R:R:I128 4.81 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 6.86 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 6.93 0 No Yes 4 3 2 1
R:R:E293 R:R:M198 4.06 1 Yes Yes 4 3 1 1
L:L:?1 R:R:M198 8.73 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 8.68 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 7.68 1 Yes Yes 0 6 0 1
R:R:F267 R:R:W271 15.03 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 7.04 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 6.72 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 11.66 1 Yes No 0 6 0 1
L:L:?1 R:R:E293 13.4 1 Yes Yes 0 4 0 1
L:L:?1 R:R:L297 13.99 1 Yes No 0 6 0 1
R:R:E293 R:R:H40 3.69 1 Yes No 4 2 1 2
R:R:F295 R:R:K294 2.48 0 No No 4 4 2 1
L:L:?1 R:R:K294 2.38 1 Yes No 0 4 0 1
R:R:G110 R:R:T109 1.82 0 No No 5 5 2 1
R:R:G110 R:R:T113 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 Links16.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.59
Average Nodes In Shell40.00
Average Hubs In Shell14.00
Average Links In Shell54.00
Average Links Mediated by Hubs In Shell47.00
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 Links16.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.59
Average Nodes In Shell40.00
Average Hubs In Shell14.00
Average Links In Shell54.00
Average Links Mediated by Hubs In Shell47.00

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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 🔍)