CodeYGH
Name4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole
Synonyms
Identifier
FormulaC15 H19 F N2 O
Molecular Weight262.323
SMILES
PubChem10015574
Formal Charge0
Total Atoms38
Total Chiral Atoms0
Total Bonds40
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
8FYE A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens 4-F,5-MeO-PyrT - Gi1/Beta1/Gamma1 2.85 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of YGH in 8FYE
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
L:L:?1 R:R:D116 12.69 1 Yes No 0 8 0 1
L:L:?1 R:R:V117 9.95 1 Yes No 0 8 0 1
L:L:?1 R:R:C120 8.48 1 Yes No 0 7 0 1
L:L:?1 R:R:T121 3.94 1 Yes Yes 0 8 0 1
L:L:?1 R:R:I189 6.67 1 Yes No 0 6 0 1
L:L:?1 R:R:S199 7.02 1 Yes No 0 8 0 1
L:L:?1 R:R:T200 3.94 1 Yes Yes 0 7 0 1
L:L:?1 R:R:A203 3.16 1 Yes No 0 8 0 1
L:L:?1 R:R:W358 3.8 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F361 23.59 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F362 10.57 1 Yes Yes 0 7 0 1
L:L:?1 R:R:A365 3.16 1 Yes No 0 8 0 1
L:L:?1 R:R:N386 5.5 1 Yes No 0 7 0 1
L:L:?1 R:R:Y390 13.31 1 Yes Yes 0 8 0 1
R:R:L90 R:R:Y390 4.69 0 No Yes 8 8 2 1
R:R:A93 R:R:Y390 5.34 0 No Yes 7 8 2 1
R:R:I113 R:R:I189 4.42 0 No No 7 6 2 1
R:R:C120 R:R:D116 3.11 1 No No 7 8 1 1
R:R:D116 R:R:Y390 10.34 1 No Yes 8 8 1 1
R:R:I167 R:R:V117 3.07 0 Yes No 8 8 2 1
R:R:S168 R:R:V117 6.46 0 No No 8 8 2 1
R:R:C120 R:R:W358 5.22 1 No Yes 7 8 1 1
R:R:G164 R:R:T121 3.64 0 No Yes 8 8 2 1
R:R:I167 R:R:T121 6.08 0 Yes Yes 8 8 2 1
R:R:A203 R:R:T121 5.03 1 No Yes 8 8 1 1
R:R:F354 R:R:I124 3.77 1 Yes No 9 8 2 2
R:R:I124 R:R:W358 11.74 1 No Yes 8 8 2 1
R:R:I189 R:R:Y195 6.04 0 No Yes 6 8 1 2
R:R:S199 R:R:Y195 15.26 0 No Yes 8 8 1 2
R:R:T196 R:R:T200 3.14 0 No Yes 7 7 2 1
R:R:T200 R:R:Y205 3.75 1 Yes Yes 7 7 1 2
R:R:F362 R:R:T200 3.89 1 Yes Yes 7 7 1 1
R:R:L366 R:R:T200 8.84 1 No Yes 7 7 2 1
R:R:F204 R:R:Y205 6.19 1 Yes Yes 8 7 2 2
R:R:F204 R:R:F354 8.57 1 Yes Yes 8 9 2 2
R:R:F204 R:R:W358 5.01 1 Yes Yes 8 8 2 1
R:R:F204 R:R:F362 19.29 1 Yes Yes 8 7 2 1
R:R:F362 R:R:Y205 3.09 1 Yes Yes 7 7 1 2
R:R:L366 R:R:Y205 7.03 1 No Yes 7 7 2 2
R:R:F354 R:R:W358 6.01 1 Yes Yes 9 8 2 1
R:R:F361 R:R:W358 3.01 1 Yes Yes 8 8 1 1
R:R:F362 R:R:W358 6.01 1 Yes Yes 7 8 1 1
R:R:G389 R:R:W358 7.04 0 No Yes 8 8 2 1
R:R:N392 R:R:W358 14.69 0 No Yes 9 8 2 1
R:R:F361 R:R:F362 12.86 1 Yes Yes 8 7 1 1
R:R:A365 R:R:F361 4.16 1 No Yes 8 8 1 1
R:R:F361 R:R:N386 6.04 1 Yes No 8 7 1 1
R:R:W387 R:R:Y390 16.4 0 Yes Yes 8 8 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.27
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell45.00
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 Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.70
Average Nodes In Shell30.50
Average Hubs In Shell12.50
Average Links In Shell44.50
Average Links Mediated by Hubs In Shell42.00

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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 🔍)