Code8K3
Name3-(2-azanylethyl)-1H-indole-5-carboxamide
Synonyms
Identifier3-(2-azanylethyl)-1~{H}-indole-5-carboxamide
FormulaC11 H13 N3 O
Molecular Weight203.24
SMILESc1cc2c(cc1C(=O)N)c(c[nH]2)CCN
PubChem1809
Formal Charge0
Total Atoms28
Total Chiral Atoms0
Total Bonds29
Total Aromatic Bonds10
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7UM5 A Amine 5-Hydroxytryptamine 5-HT5A Homo sapiens 5-CT - chim(NtGi1-Go)/Beta1/Gamma2 2.73 2022-07-20 10.1038/s41594-022-00796-6

A 2D representation of the interactions of 8K3 in 7UM5
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:V89 R:R:V93 3.21 3 Yes No 7 7 2 2
R:R:M94 R:R:V89 6.09 3 Yes Yes 7 7 2 2
R:R:V89 R:R:Y328 2.52 3 Yes Yes 7 7 2 1
R:R:D121 R:R:V93 7.3 3 No No 8 7 1 2
R:R:V93 R:R:Y328 5.05 3 No Yes 7 7 2 1
R:R:M94 R:R:W325 4.65 3 Yes Yes 7 6 2 2
R:R:M94 R:R:Y328 7.18 3 Yes Yes 7 7 2 1
R:R:S97 R:R:Y328 2.54 0 No Yes 6 7 2 1
R:R:I118 R:R:V194 3.07 0 No No 6 4 2 1
R:R:D121 R:R:Y328 8.05 3 No Yes 8 7 1 1
L:L:?1 R:R:D121 8.36 3 Yes No 0 8 0 1
R:R:S173 R:R:V122 6.46 0 No No 8 7 2 1
L:L:?1 R:R:V122 11.8 3 Yes No 0 7 0 1
R:R:C125 R:R:W298 2.61 3 No Yes 6 8 1 2
R:R:C125 R:R:Y328 2.69 3 No Yes 6 7 1 1
L:L:?1 R:R:C125 5.59 3 Yes No 0 6 0 1
R:R:S169 R:R:T126 6.4 0 No No 8 7 2 1
R:R:A208 R:R:T126 3.36 0 No No 7 7 2 1
L:L:?1 R:R:T126 3.89 3 Yes No 0 7 0 1
L:L:?1 R:R:V194 2.62 3 Yes No 0 4 0 1
R:R:S204 R:R:Y200 7.63 0 No Yes 6 7 1 2
L:L:?1 R:R:S204 10.57 3 Yes No 0 6 0 1
R:R:T205 R:R:Y210 3.75 3 Yes No 6 5 1 2
R:R:F302 R:R:T205 5.19 3 Yes Yes 6 6 1 1
R:R:E305 R:R:T205 2.82 3 Yes Yes 7 6 1 1
R:R:L306 R:R:T205 5.9 3 No Yes 5 6 2 1
L:L:?1 R:R:T205 2.59 3 Yes Yes 0 6 0 1
R:R:F209 R:R:W298 6.01 3 Yes Yes 8 8 2 2
R:R:F209 R:R:F302 16.08 3 Yes Yes 8 6 2 1
R:R:L306 R:R:Y210 4.69 3 No No 5 5 2 2
R:R:F301 R:R:W298 3.01 3 No Yes 7 8 1 2
R:R:F302 R:R:W298 6.01 3 Yes Yes 6 8 1 2
R:R:F301 R:R:F302 11.79 3 No Yes 7 6 1 1
L:L:?1 R:R:F301 10.72 3 Yes No 0 7 0 1
L:L:?1 R:R:F302 6.43 3 Yes Yes 0 6 0 1
R:R:E305 R:R:K320 2.7 3 Yes No 7 4 1 2
L:L:?1 R:R:E305 11.66 3 Yes Yes 0 7 0 1
R:R:L324 R:R:Y328 7.03 0 No Yes 5 7 2 1
R:R:W325 R:R:Y328 3.86 3 Yes Yes 6 7 2 1
L:L:?1 R:R:Y328 3.09 3 Yes Yes 0 7 0 1
R:R:T205 R:R:V206 1.59 3 Yes No 6 4 1 2
R:R:I172 R:R:S204 1.55 0 No No 6 6 2 1
R:R:E305 R:R:R196 1.16 3 Yes No 7 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.03
Average Nodes In Shell31.00
Average Hubs In Shell11.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell36.00
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
7X5H A Amine 5-Hydroxytryptamine 5-HT5A Homo sapiens 5-CT - Gi1/Beta1/Gamma2 3.1 2022-09-14 10.1038/s41421-022-00412-3

A 2D representation of the interactions of 8K3 in 7X5H
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:D121 R:R:V93 7.3 2 No No 8 7 1 2
R:R:V93 R:R:Y328 3.79 2 No Yes 7 7 2 2
R:R:D121 R:R:Y328 8.05 2 No Yes 8 7 1 2
L:L:?1 R:R:D121 10.75 2 Yes No 0 8 0 1
L:L:?1 R:R:V122 10.49 2 Yes No 0 7 0 1
R:R:C125 R:R:W298 5.22 0 No Yes 6 8 1 2
L:L:?1 R:R:C125 11.17 2 Yes No 0 6 0 1
R:R:A208 R:R:T126 3.36 0 No No 7 7 1 2
L:L:?1 R:R:V194 7.86 2 Yes No 0 4 0 1
R:R:S204 R:R:Y200 8.9 0 No No 6 7 1 2
L:L:?1 R:R:S204 7.93 2 Yes No 0 6 0 1
L:L:?1 R:R:A208 4.16 2 Yes No 0 7 0 1
R:R:F209 R:R:W298 7.02 2 Yes Yes 8 8 2 2
R:R:F209 R:R:F302 25.72 2 Yes No 8 6 2 1
R:R:F302 R:R:W298 7.02 2 No Yes 6 8 1 2
R:R:E305 R:R:F301 16.32 2 No Yes 7 7 1 1
R:R:F301 R:R:L324 7.31 2 Yes No 7 5 1 2
L:L:?1 R:R:F301 5.36 2 Yes Yes 0 7 0 1
L:L:?1 R:R:F302 15 2 Yes No 0 6 0 1
L:L:?1 R:R:E305 13.99 2 Yes No 0 7 0 1
R:R:L324 R:R:Y328 11.72 0 No Yes 5 7 2 2
R:R:S173 R:R:V122 3.23 0 Yes No 8 7 2 1
R:R:F301 R:R:F323 3.22 2 Yes Yes 7 5 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub1.00
Average Interaction Strength9.63
Average Nodes In Shell19.00
Average Hubs In Shell7.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell20.00
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
7XTC A Amine 5-Hydroxytryptamine 5-HT7 Homo sapiens 5-CT - Gs/Beta1/Gamma2 3.2 2022-07-27 10.1016/j.molcel.2022.05.031

A 2D representation of the interactions of 8K3 in 7XTC
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:D162 R:R:V134 10.22 1 Yes Yes 7 8 1 2
R:R:V134 R:R:Y374 3.79 1 Yes Yes 8 7 2 2
R:R:I159 R:R:I233 4.42 13 Yes No 6 4 2 1
R:R:C166 R:R:D162 3.11 1 No Yes 7 7 1 1
R:R:D162 R:R:Y374 5.75 1 Yes Yes 7 7 1 2
L:L:?1 R:R:D162 9.55 1 Yes Yes 0 7 0 1
R:R:I213 R:R:V163 4.61 0 No No 6 6 2 1
R:R:T214 R:R:V163 3.17 0 No No 7 6 2 1
L:L:?1 R:R:V163 15.73 1 Yes No 0 6 0 1
R:R:C166 R:R:W340 5.22 1 No Yes 7 8 1 1
L:L:?1 R:R:C166 5.59 1 Yes No 0 7 0 1
R:R:A247 R:R:T167 5.03 0 No No 7 7 1 2
R:R:I170 R:R:W340 5.87 0 No Yes 8 8 2 1
R:R:I213 R:R:S243 3.1 0 No No 6 6 2 1
R:R:I233 R:R:Y239 4.84 0 No Yes 4 7 1 2
L:L:?1 R:R:I233 6.28 1 Yes No 0 4 0 1
R:R:S243 R:R:Y239 6.36 0 No Yes 6 7 1 2
L:L:?1 R:R:S243 9.25 1 Yes No 0 6 0 1
R:R:F344 R:R:T244 6.49 1 Yes No 7 6 1 2
L:L:?1 R:R:A247 4.16 1 Yes No 0 7 0 1
R:R:F248 R:R:F344 23.58 1 Yes Yes 7 7 2 1
R:R:F344 R:R:W340 4.01 1 Yes Yes 7 8 1 1
R:R:G373 R:R:W340 8.44 0 No Yes 7 8 2 1
R:R:N376 R:R:W340 16.95 0 No Yes 9 8 2 1
L:L:?1 R:R:W340 4.01 1 Yes Yes 0 8 0 1
R:R:F343 R:R:F344 3.22 1 No Yes 7 7 1 1
R:R:F343 R:R:L370 7.31 1 No No 7 6 1 2
L:L:?1 R:R:F343 7.5 1 Yes No 0 7 0 1
L:L:?1 R:R:F344 12.86 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S347 9.25 1 Yes No 0 6 0 1
R:R:L370 R:R:Y374 14.07 0 No Yes 6 7 2 2
L:L:?1 R:R:T240 2.59 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.89
Average Nodes In Shell25.00
Average Hubs In Shell9.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell27.00
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 Links10.33
Average Number Of Links With An Hub2.67
Average Interaction Strength8.18
Average Nodes In Shell25.00
Average Hubs In Shell9.00
Average Links In Shell32.67
Average Links Mediated by Hubs In Shell27.67

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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 🔍)