CodeYFW
Name5-methoxy-N,N-dimethyltryptamine
Synonyms5-methoxy-N,N-dimethyl-1H-indole-3-ethanamine
Identifier
FormulaC13 H18 N2 O
Molecular Weight218.295
SMILES
PubChem1832
Formal Charge0
Total Atoms34
Total Chiral Atoms0
Total Bonds35
Total Aromatic Bonds10
Networks4
 missing image

This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8FY8 A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens 5-MeO-DMT PtdIns4P Gi1/Beta1/Gamma1 2.79 2024-05-15 doi.org/10.1038/s41586-024-07403-2

A 2D representation of the interactions of YFW in 8FY8
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 13.85 2 Yes No 0 8 0 1
L:L:?1 R:R:V117 11.94 2 Yes No 0 8 0 1
L:L:?1 R:R:C120 4.63 2 Yes No 0 7 0 1
L:L:?1 R:R:T121 5.37 2 Yes Yes 0 8 0 1
L:L:?1 R:R:I189 10.4 2 Yes No 0 6 0 1
L:L:?1 R:R:S199 8.75 2 Yes No 0 8 0 1
L:L:?1 R:R:A203 3.45 2 Yes No 0 8 0 1
L:L:?1 R:R:W358 4.15 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F361 16.87 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F362 11.54 2 Yes Yes 0 7 0 1
L:L:?1 R:R:Y390 11.96 2 Yes Yes 0 8 0 1
R:R:L90 R:R:V85 2.98 2 Yes Yes 8 8 2 2
R:R:C120 R:R:V85 3.42 2 No Yes 7 8 1 2
R:R:D116 R:R:V89 4.38 2 No Yes 8 8 1 2
R:R:V89 R:R:Y390 3.79 2 Yes Yes 8 8 2 1
R:R:L90 R:R:W387 4.56 2 Yes Yes 8 8 2 2
R:R:L90 R:R:Y390 5.86 2 Yes Yes 8 8 2 1
R:R:A93 R:R:Y390 4 0 No Yes 7 8 2 1
R:R:D116 R:R:Y390 8.05 2 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 4.85 0 No No 8 8 2 1
R:R:C120 R:R:W358 5.22 2 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 4.56 0 Yes Yes 8 8 2 1
R:R:A203 R:R:T121 5.03 2 No Yes 8 8 1 1
R:R:F354 R:R:I124 5.02 2 Yes No 9 8 2 2
R:R:I124 R:R:W358 15.27 2 No Yes 8 8 2 1
R:R:S199 R:R:Y195 13.99 0 No Yes 8 8 1 2
R:R:T200 R:R:Y205 3.75 2 No Yes 7 7 2 2
R:R:F362 R:R:T200 5.19 2 Yes No 7 7 1 2
R:R:F204 R:R:Y205 8.25 2 Yes Yes 8 7 2 2
R:R:F204 R:R:F354 6.43 2 Yes Yes 8 9 2 2
R:R:F204 R:R:W358 3.01 2 Yes Yes 8 8 2 1
R:R:F204 R:R:F362 19.29 2 Yes Yes 8 7 2 1
R:R:F362 R:R:Y205 3.09 2 Yes Yes 7 7 1 2
R:R:F354 R:R:W358 4.01 2 Yes Yes 9 8 2 1
R:R:F362 R:R:W358 7.02 2 Yes Yes 7 8 1 1
R:R:G389 R:R:W358 8.44 0 No Yes 8 8 2 1
R:R:N392 R:R:W358 13.56 0 No Yes 9 8 2 1
R:R:F361 R:R:F362 13.93 2 Yes Yes 8 7 1 1
R:R:F361 R:R:I385 3.77 2 Yes No 8 6 1 2
R:R:F361 R:R:N386 7.25 2 Yes No 8 7 1 2
R:R:W387 R:R:Y390 16.4 2 Yes Yes 8 8 2 1
R:R:A365 R:R:F361 2.77 0 No Yes 8 8 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.36
Average Nodes In Shell31.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell43.00
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
9KVG A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens 5-MeO-DMT PtdIns4P Gi1/Beta1/Gamma2 2.63 2025-12-03 To be published

A 2D representation of the interactions of YFW in 9KVG
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:D116 R:R:V89 11.69 8 Yes Yes 8 8 1 2
R:R:L90 R:R:Y390 9.38 0 No Yes 8 8 2 1
R:R:A93 R:R:Y390 4 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 4.67 8 No Yes 7 8 1 1
R:R:D116 R:R:Y390 10.34 8 Yes Yes 8 8 1 1
L:L:?1 R:R:D116 10.88 8 Yes Yes 0 8 0 1
L:L:?1 R:R:V117 11.94 8 Yes No 0 8 0 1
R:R:C120 R:R:W358 5.22 8 No Yes 7 8 1 1
L:L:?1 R:R:C120 8.1 8 Yes No 0 7 0 1
R:R:I124 R:R:W358 10.57 0 No Yes 8 8 2 1
R:R:I167 R:R:S199 3.1 0 No No 8 8 2 1
R:R:I189 R:R:K191 4.36 0 No No 6 5 1 2
L:L:?1 R:R:I189 4.16 8 Yes No 0 6 0 1
R:R:S199 R:R:Y195 5.09 0 No Yes 8 8 1 2
R:R:P369 R:R:T196 6.99 0 No No 7 7 2 1
L:L:?1 R:R:T196 3.22 8 Yes No 0 7 0 1
L:L:?1 R:R:S199 8.75 8 Yes No 0 8 0 1
R:R:F362 R:R:T200 3.89 8 Yes No 7 7 1 1
L:L:?1 R:R:T200 4.3 8 Yes No 0 7 0 1
L:L:?1 R:R:A203 3.45 8 Yes No 0 8 0 1
R:R:F204 R:R:Y205 6.19 8 Yes No 8 7 2 2
R:R:F204 R:R:W358 4.01 8 Yes Yes 8 8 2 1
R:R:F204 R:R:F362 18.22 8 Yes Yes 8 7 2 1
R:R:F362 R:R:Y205 3.09 8 Yes No 7 7 1 2
R:R:F361 R:R:W358 5.01 8 Yes Yes 8 8 1 1
R:R:F362 R:R:W358 5.01 8 Yes Yes 7 8 1 1
R:R:G389 R:R:W358 9.85 0 No Yes 8 8 2 1
R:R:N392 R:R:W358 12.43 0 No Yes 9 8 2 1
L:L:?1 R:R:W358 3.32 8 Yes Yes 0 8 0 1
R:R:F361 R:R:F362 6.43 8 Yes Yes 8 7 1 1
R:R:F361 R:R:N386 8.46 8 Yes No 8 7 1 1
L:L:?1 R:R:F361 21.31 8 Yes Yes 0 8 0 1
L:L:?1 R:R:F362 7.99 8 Yes Yes 0 7 0 1
L:L:?1 R:R:A365 3.45 8 Yes No 0 8 0 1
R:R:N386 R:R:Y390 3.49 8 No Yes 7 8 1 1
L:L:?1 R:R:N386 5 8 Yes No 0 7 0 1
R:R:W387 R:R:Y390 18.33 0 No Yes 8 8 2 1
L:L:?1 R:R:Y390 7.69 8 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.40
Average Nodes In Shell29.00
Average Hubs In Shell9.00
Average Links In Shell39.00
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 Links12.00
Average Number Of Links With An Hub4.75
Average Interaction Strength8.60
Average Nodes In Shell28.25
Average Hubs In Shell11.00
Average Links In Shell37.50
Average Links Mediated by Hubs In Shell35.25

missing image


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 🔍)