Code91Q
Name3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol
Synonyms
Identifier3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol
FormulaC12 H16 N2 O
Molecular Weight204.268
SMILESCN(C)CCc1c[nH]c2c1c(ccc2)O
PubChem4980
Formal Charge0
Total Atoms31
Total Chiral Atoms0
Total Bonds32
Total Aromatic Bonds10
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
7WC5 A Amine 5-Hydroxytryptamine 5-HT2A Homo sapiens Psilocin - - 3.2 2022-01-26 10.1126/science.abl8615

A 2D representation of the interactions of 91Q in 7WC5
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 7.3 1 No No 8 8 1 2
R:R:V127 R:R:Y370 3.79 1 No Yes 8 7 2 2
R:R:V130 R:R:W151 14.71 0 No Yes 4 5 2 1
R:R:N363 R:R:Y139 22.1 0 No Yes 4 3 1 2
R:R:W141 R:R:W151 8.43 1 Yes Yes 7 5 2 1
R:R:C227 R:R:W141 10.45 1 No Yes 9 7 2 2
R:R:C227 R:R:W151 5.22 1 No Yes 9 5 2 1
L:L:?1 R:R:W151 6.94 1 Yes Yes 0 5 0 1
R:R:D155 R:R:Y370 5.75 1 No Yes 8 7 1 2
L:L:?1 R:R:D155 19.3 1 Yes No 0 8 0 1
R:R:S207 R:R:V156 4.85 0 No No 7 6 2 1
R:R:I210 R:R:V156 4.61 0 No No 6 6 2 1
L:L:?1 R:R:V156 4.54 1 Yes No 0 6 0 1
R:R:K223 R:R:L228 4.23 0 No Yes 3 4 2 1
L:L:?1 R:R:L228 9.84 1 Yes Yes 0 4 0 1
R:R:N343 R:R:V235 4.43 1 Yes No 7 6 1 2
R:R:F339 R:R:W336 7.02 1 Yes Yes 7 8 1 2
R:R:F339 R:R:N343 9.67 1 Yes Yes 7 7 1 1
R:R:F339 R:R:L362 6.09 1 Yes No 7 3 1 2
R:R:F339 R:R:V366 5.24 1 Yes No 7 6 1 2
L:L:?1 R:R:F339 17.32 1 Yes Yes 0 7 0 1
R:R:L362 R:R:N343 8.24 1 No Yes 3 7 2 1
L:L:?1 R:R:N343 5.58 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N363 5.58 1 Yes No 0 4 0 1
R:R:V366 R:R:Y370 7.57 0 No Yes 6 7 2 2
R:R:A230 R:R:L228 1.58 0 No Yes 3 4 2 1
R:R:L228 R:R:S226 1.5 0 Yes No 4 4 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.87
Average Nodes In Shell23.00
Average Hubs In Shell9.00
Average Links In Shell27.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8DPG A Amine 5-Hydroxytryptamine 5-HT2C Homo sapiens Psilocin - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.6 2022-08-24 10.1016/j.celrep.2022.111211

A 2D representation of the interactions of 91Q in 8DPG
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:D134 R:R:V106 13.15 13 Yes Yes 8 7 1 2
R:R:V106 R:R:Y358 5.05 13 Yes Yes 7 8 2 1
R:R:M107 R:R:Y358 2.39 0 Yes Yes 8 8 2 1
R:R:D134 R:R:S138 2.94 13 Yes No 8 6 1 1
R:R:D134 R:R:Y358 10.34 13 Yes Yes 8 8 1 1
L:L:?1 R:R:D134 15.17 13 Yes Yes 0 8 0 1
R:R:V135 R:R:V185 3.21 0 No No 6 6 1 2
R:R:I189 R:R:V135 3.07 5 Yes No 6 6 2 1
L:L:?1 R:R:V135 22.7 13 Yes No 0 6 0 1
L:L:?1 R:R:S138 9.15 13 Yes No 0 6 0 1
R:R:M143 R:R:T139 3.01 0 Yes No 6 7 2 1
R:R:T139 R:R:V185 4.76 0 No No 7 6 1 2
L:L:?1 R:R:T139 2.99 13 Yes No 0 7 0 1
R:R:F214 R:R:I189 6.28 0 No Yes 7 6 1 2
R:R:F214 R:R:L209 7.31 0 No No 7 5 1 2
L:L:?1 R:R:F214 8.66 13 Yes No 0 7 0 1
R:R:G218 R:R:I217 3.53 0 No No 7 4 1 2
L:L:?1 R:R:G218 3.48 13 Yes No 0 7 0 1
R:R:F328 R:R:S219 2.64 0 No No 7 7 2 1
L:L:?1 R:R:S219 12.2 13 Yes No 0 7 0 1
L:L:?1 R:R:A222 4.8 13 Yes No 0 7 0 1
R:R:F327 R:R:F328 4.29 0 Yes No 7 7 1 2
R:R:F327 R:R:L350 2.44 0 Yes No 7 4 1 2
R:R:F327 R:R:V354 7.87 0 Yes No 7 7 1 2
L:L:?1 R:R:F327 4.95 13 Yes Yes 0 7 0 1
R:R:V354 R:R:Y358 5.05 0 No Yes 7 8 2 1
R:R:W355 R:R:Y358 3.86 0 Yes Yes 7 8 2 1
L:L:?1 R:R:Y358 2.38 13 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.65
Average Nodes In Shell22.00
Average Hubs In Shell9.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell23.00
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 Links8.50
Average Number Of Links With An Hub3.50
Average Interaction Strength9.26
Average Nodes In Shell22.50
Average Hubs In Shell9.00
Average Links In Shell27.50
Average Links Mediated by Hubs In Shell23.50

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)