CodeU0G
NameN-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine
Synonyms
  • N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine
  • NBOH-2C-CN
  • 25CN-NBOH
Identifier4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxy-benzenecarbonitrile
FormulaC18 H20 N2 O3
Molecular Weight312.363
SMILESCOc1cc(c(cc1C#N)OC)CCNCc2ccccc2O
PubChem90489020
Formal Charge0
Total Atoms43
Total Chiral Atoms0
Total Bonds44
Total Aromatic Bonds12
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
6WHA A Amine 5-Hydroxytryptamine 5-HT2A Homo sapiens DB13948 - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.36 2020-09-23 10.1016/j.cell.2020.08.024

A 2D representation of the interactions of U0G in 6WHA
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:L123 R:R:V127 7.45 1 Yes No 7 8 2 2
R:R:D155 R:R:L123 4.07 1 Yes Yes 8 7 1 2
R:R:L123 R:R:Y370 4.69 1 Yes Yes 7 7 2 1
R:R:D155 R:R:V127 8.76 1 Yes No 8 8 1 2
R:R:V127 R:R:Y370 5.05 1 No Yes 8 7 2 1
R:R:S131 R:R:W367 2.47 1 No No 7 6 2 2
R:R:S131 R:R:Y370 5.09 1 No Yes 7 7 2 1
R:R:D155 R:R:S159 2.94 1 Yes No 8 7 1 1
R:R:D155 R:R:Y370 4.6 1 Yes Yes 8 7 1 1
L:L:?1 R:R:D155 7.69 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S159 19.85 1 Yes No 0 7 0 1
R:R:M164 R:R:T160 3.01 0 No Yes 6 7 2 1
R:R:I206 R:R:T160 4.56 0 No Yes 6 7 2 1
R:R:S242 R:R:T160 4.8 1 No Yes 6 7 1 1
L:L:?1 R:R:T160 2.78 1 Yes Yes 0 7 0 1
R:R:I163 R:R:W336 9.4 0 No Yes 8 8 2 1
L:L:?1 R:R:S242 4.25 1 Yes No 0 6 0 1
R:R:F243 R:R:W336 4.01 1 No Yes 8 8 2 1
R:R:F243 R:R:F340 9.65 1 No Yes 8 7 2 1
R:R:F332 R:R:W336 9.02 0 Yes Yes 9 8 2 1
R:R:F340 R:R:W336 3.01 1 Yes Yes 7 8 1 1
R:R:S372 R:R:W336 6.18 0 No Yes 9 8 2 1
L:L:?1 R:R:W336 8.61 1 Yes Yes 0 8 0 1
R:R:F339 R:R:F340 7.5 1 Yes Yes 7 7 1 1
R:R:F339 R:R:L362 2.44 1 Yes No 7 3 1 2
L:L:?1 R:R:F339 10.35 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F340 21.86 1 Yes Yes 0 7 0 1
R:R:V366 R:R:Y370 5.05 1 No Yes 6 7 1 1
L:L:?1 R:R:V366 2.81 1 Yes No 0 6 0 1
R:R:W367 R:R:Y370 9.65 1 No Yes 6 7 2 1
L:L:?1 R:R:G369 9.69 1 Yes No 0 7 0 1
L:L:?1 R:R:Y370 5.54 1 Yes Yes 0 7 0 1
R:R:F339 R:R:F365 2.14 1 Yes Yes 7 5 1 2
R:R:V235 R:R:V347 1.6 1 No Yes 6 5 1 2
R:R:N343 R:R:V235 1.48 1 No No 7 6 2 1
R:R:N343 R:R:V347 1.48 1 No Yes 7 5 2 2
L:L:?1 R:R:V235 1.41 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.62
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell35.00
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 Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.62
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell35.00

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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 🔍)