CodeS6R
Name1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid
Synonyms
Identifier1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid
FormulaC34 H31 Cl N2 O5
Molecular Weight583.073
SMILESc1ccc(cc1)COc2ccc(cc2)CC(=O)NC3(CCN(CC3)C(=O)c4ccc(cc4)c5cccc(c5)Cl)C(=O)O
PubChem169422747
Formal Charge0
Total Atoms73
Total Chiral Atoms0
Total Bonds77
Total Aromatic Bonds24
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
8IYX A Orphan A orphans GPR34 Homo sapiens YL-365 - - 3.34 2024-03-20 10.1073/pnas.2308435120

A 2D representation of the interactions of S6R in 8IYX
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:F147 R:R:Y92 4.13 0 No Yes 5 7 1 2
R:R:F186 R:R:T132 3.89 4 Yes No 7 5 2 1
R:R:M189 R:R:T132 3.01 4 No No 4 5 1 1
L:L:?1 R:R:T132 7.44 4 Yes No 0 5 0 1
R:R:M138 R:R:Y135 3.59 0 No No 7 5 2 1
L:L:?1 R:R:Y135 20.72 4 Yes No 0 5 0 1
R:R:L223 R:R:Y139 14.07 0 No No 5 7 2 1
R:R:H283 R:R:Y139 6.53 0 Yes No 8 7 2 1
L:L:?1 R:R:Y139 10.85 4 Yes No 0 7 0 1
R:R:I140 R:R:V178 3.07 0 No No 7 7 1 2
R:R:A182 R:R:I140 3.25 0 No No 7 7 2 1
L:L:?1 R:R:I140 3.6 4 Yes No 0 7 0 1
L:L:?1 R:R:I143 8.41 4 Yes No 0 5 0 1
R:R:F147 R:R:V174 5.24 0 No No 5 5 1 2
L:L:?1 R:R:F147 4.1 4 Yes No 0 5 0 1
L:L:?1 R:R:L181 11.65 4 Yes No 0 4 0 1
L:L:?1 R:R:M189 7.14 4 Yes No 0 4 0 1
L:L:?1 R:R:I177 2.4 4 Yes No 0 3 0 1
R:R:G184 R:R:G185 2.11 0 No No 3 4 2 1
R:R:G185 R:R:T188 1.82 0 No No 4 8 1 2
L:L:?1 R:R:G185 1.44 4 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub0.00
Average Interaction Strength7.78
Average Nodes In Shell21.00
Average Hubs In Shell4.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell13.00
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 Links10.00
Average Number Of Links With An Hub0.00
Average Interaction Strength7.78
Average Nodes In Shell21.00
Average Hubs In Shell4.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell13.00

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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 🔍)