CodeUQL
Name2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine
SynonymsST1936
Identifier2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-ethanamine
FormulaC13 H17 Cl N2
Molecular Weight236.74
SMILESCc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C
PubChem9921064
Formal Charge0
Total Atoms33
Total Chiral Atoms0
Total Bonds34
Total Aromatic Bonds10
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
8JLZ A Amine 5-Hydroxytryptamine 5-HT6 Homo sapiens ST1936 - Gs/Beta1/Gamma2 3.09 2023-06-28 10.1016/j.bbrc.2023.05.126

A 2D representation of the interactions of UQL in 8JLZ
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:D106 R:R:V79 10.22 1 No Yes 7 7 1 2
R:R:V79 R:R:Y310 2.52 1 Yes Yes 7 7 2 1
R:R:M80 R:R:Y310 5.99 0 No Yes 7 7 2 1
R:R:D106 R:R:Y310 12.64 1 No Yes 7 7 1 1
L:L:?1 R:R:D106 12.22 1 Yes No 0 7 0 1
R:R:S158 R:R:V107 6.46 1 No No 7 6 2 1
L:L:?1 R:R:V107 5.03 1 Yes No 0 6 0 1
R:R:C110 R:R:W281 5.22 1 No Yes 6 8 1 2
R:R:C110 R:R:Y310 2.69 1 No Yes 6 7 1 1
L:L:?1 R:R:C110 5.36 1 Yes No 0 6 0 1
R:R:F188 R:R:P161 2.89 1 Yes No 7 5 1 2
R:R:F188 R:R:L162 3.65 1 Yes No 7 5 1 2
R:R:F188 R:R:H167 6.79 1 Yes No 7 4 1 2
R:R:A192 R:R:F188 5.55 1 No Yes 6 7 1 1
L:L:?1 R:R:F188 8.23 1 Yes Yes 0 7 0 1
R:R:N288 R:R:V189 2.96 1 Yes No 6 5 1 2
L:L:?1 R:R:A192 3.55 1 Yes No 0 6 0 1
R:R:F285 R:R:S193 6.61 1 Yes No 6 6 1 1
L:L:?1 R:R:S193 5.07 1 Yes No 0 6 0 1
R:R:F197 R:R:W281 2 1 Yes Yes 8 8 2 2
R:R:F197 R:R:F285 22.51 1 Yes Yes 8 6 2 1
R:R:F284 R:R:W281 3.01 1 Yes Yes 7 8 1 2
R:R:F285 R:R:W281 9.02 1 Yes Yes 6 8 1 2
R:R:F284 R:R:N288 14.5 1 Yes Yes 7 6 1 1
R:R:F284 R:R:F302 5.36 1 Yes No 7 4 1 2
R:R:F284 R:R:T306 5.19 1 Yes No 7 4 1 2
L:L:?1 R:R:F284 9.6 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F285 4.11 1 Yes Yes 0 6 0 1
R:R:F302 R:R:N288 4.83 1 No Yes 4 6 2 1
L:L:?1 R:R:N288 4.64 1 Yes Yes 0 6 0 1
R:R:T306 R:R:Y310 6.24 0 No Yes 4 7 2 1
R:R:W307 R:R:Y310 8.68 0 Yes Yes 5 7 2 1
L:L:?1 R:R:Y310 2.64 1 Yes Yes 0 7 0 1
L:L:?1 R:R:A184 1.77 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength5.66
Average Nodes In Shell24.00
Average Hubs In Shell10.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell33.00
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 Hub5.00
Average Interaction Strength5.66
Average Nodes In Shell24.00
Average Hubs In Shell10.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)