CodeYEQ
Name4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol
Synonyms
Identifier
FormulaC17 H21 N3 O
Molecular Weight283.368
SMILES
PubChem
Formal Charge0
Total Atoms42
Total Chiral Atoms2
Total Bonds44
Total Aromatic Bonds12
Networks2
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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
8V6U A Amine 5-Hydroxytryptamine 5-HT2A Homo Sapiens PubChem 171392456 - chim(NtGi2-Gs-CtGq)/Beta1/Gamma2 3 2024-05-29 doi.org/10.1126/science.adn6354

A 2D representation of the interactions of YEQ in 8V6U
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:D155 R:R:V127 5.84 2 Yes No 8 8 1 2
R:R:V127 R:R:Y370 3.79 2 No Yes 8 7 2 2
R:R:D155 R:R:S159 2.94 2 Yes No 8 7 1 1
R:R:D155 R:R:Y370 8.05 2 Yes Yes 8 7 1 2
L:L:?1 R:R:D155 28.19 2 Yes Yes 0 8 0 1
R:R:S207 R:R:V156 3.23 0 No No 7 6 2 1
L:L:?1 R:R:V156 9.28 2 Yes No 0 6 0 1
L:L:?1 R:R:S159 6.24 2 Yes No 0 7 0 1
R:R:M164 R:R:T160 3.01 0 Yes Yes 6 7 2 1
R:R:I206 R:R:T160 6.08 0 No Yes 6 7 2 1
R:R:S242 R:R:T160 7.99 2 No Yes 6 7 1 1
L:L:?1 R:R:T160 3.06 2 Yes Yes 0 7 0 1
R:R:K223 R:R:L228 12.69 0 No No 3 4 2 1
L:L:?1 R:R:L228 5.75 2 Yes No 0 4 0 1
R:R:F340 R:R:S239 5.28 2 Yes No 7 6 1 2
L:L:?1 R:R:S242 7.8 2 Yes No 0 6 0 1
R:R:F243 R:R:W336 3.01 2 Yes Yes 8 8 2 2
R:R:F243 R:R:F340 19.29 2 Yes Yes 8 7 2 1
R:R:F340 R:R:W336 4.01 2 Yes Yes 7 8 1 2
R:R:F339 R:R:F340 3.22 2 Yes Yes 7 7 1 1
R:R:F339 R:R:F365 3.22 2 Yes Yes 7 5 1 2
R:R:F339 R:R:V366 3.93 2 Yes No 7 6 1 1
L:L:?1 R:R:F339 12.65 2 Yes Yes 0 7 0 1
L:L:?1 R:R:F340 6.32 2 Yes Yes 0 7 0 1
L:L:?1 R:R:V366 6.19 2 Yes No 0 6 0 1
L:L:?1 R:R:G238 1.78 2 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.73
Average Nodes In Shell21.00
Average Hubs In Shell10.00
Average Links In Shell26.00
Average Links Mediated by Hubs In Shell24.00
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 Hub3.50
Average Interaction Strength8.73
Average Nodes In Shell21.00
Average Hubs In Shell9.50
Average Links In Shell25.50
Average Links Mediated by Hubs In Shell23.00

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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 🔍)