CodeON7
Name{1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid
SynonymsONO9780307
Identifier2-[1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methyl-phenyl)-3-oxidanyl-propyl]-4-methoxycarbonyl-pyrrol-3-yl]ethanoic acid
FormulaC30 H35 N O7
Molecular Weight521.601
SMILESCc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC
PubChem11785732
Formal Charge0
Total Atoms73
Total Chiral Atoms2
Total Bonds76
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
4Z34 A Lipid Lysophospholipid (LPA) LPA1 Homo sapiens ONO-9780307 - - 3 2015-06-03 10.1016/j.cell.2015.06.002

A 2D representation of the interactions of ON7 in 4Z34
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:K39 R:R:Y34 4.78 1 Yes Yes 8 6 1 2
R:R:T113 R:R:Y34 4.99 0 No Yes 5 6 1 2
R:R:W121 R:R:Y34 9.65 1 Yes Yes 9 6 2 2
R:R:H40 R:R:K39 7.86 1 No Yes 2 8 1 1
R:R:E293 R:R:K39 8.1 1 No Yes 4 8 1 1
L:L:?1 R:R:K39 8.91 1 Yes Yes 0 8 0 1
L:L:?1 R:R:H40 5.69 1 Yes No 0 2 0 1
R:R:I128 R:R:Y102 3.63 0 Yes 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 Yes No 6 6 1 2
L:L:?1 R:R:T109 7.45 1 Yes No 0 5 0 1
L:L:?1 R:R:T113 4.66 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 9 0 Yes Yes 6 9 1 2
R:R:Q125 R:R:W121 10.95 1 No Yes 4 9 1 2
R:R:W121 R:R:Y202 4.82 1 Yes Yes 9 4 2 2
L:L:?1 R:R:R124 5.37 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 13.45 1 Yes No 0 4 0 1
L:L:?1 R:R:I128 5.41 1 Yes Yes 0 6 0 1
R:R:D129 R:R:Y202 6.9 0 Yes Yes 5 4 1 2
R:R:D129 R:R:W210 6.7 0 Yes Yes 5 6 1 2
L:L:?1 R:R:D129 6 1 Yes Yes 0 5 0 1
R:R:L132 R:R:W210 4.56 1 No Yes 7 6 2 2
R:R:L132 R:R:W271 9.11 1 No Yes 7 8 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 8.12 1 No Yes 4 3 1 1
L:L:?1 R:R:M198 8.04 1 Yes Yes 0 3 0 1
R:R:L207 R:R:L278 4.15 0 No No 6 6 2 1
R:R:F267 R:R:W271 16.04 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 6.48 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 6.48 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 12.24 1 Yes No 0 6 0 1
L:L:?1 R:R:E293 10.88 1 Yes No 0 4 0 1
L:L:?1 R:R:L297 7.87 1 Yes No 0 6 0 1
R:R:A101 R:R:I128 3.25 0 No Yes 5 6 2 1
R:R:D129 R:R:G126 1.68 0 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 Hub6.00
Average Interaction Strength7.78
Average Nodes In Shell33.00
Average Hubs In Shell13.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell41.00
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 Hub6.00
Average Interaction Strength7.78
Average Nodes In Shell33.00
Average Hubs In Shell13.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell41.00

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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 🔍)