Code93F
Name(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
Synonyms
Identifier(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
FormulaC24 H31 N3 O
Molecular Weight377.522
SMILESCN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCc5ccccc5OC
PubChem162421364
Formal Charge0
Total Atoms59
Total Chiral Atoms2
Total Bonds63
Total Aromatic Bonds12
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
7WC9 A Amine 5-Hydroxytryptamine 5-HT2A Homo sapiens PubChem 162421364 - - 2.5 2022-01-26 10.1126/science.abl8615

A 2D representation of the interactions of 93F in 7WC9
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 Yes 8 8 1 2
R:R:V127 R:R:Y370 3.79 1 Yes Yes 8 7 2 2
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
L:L:?1 R:R:S159 3.71 1 Yes No 0 7 0 1
R:R:S242 R:R:T160 6.4 1 No No 6 7 2 2
R:R:F243 R:R:T160 3.89 1 Yes No 8 7 1 2
R:R:F243 R:R:I163 3.77 1 Yes No 8 8 1 2
R:R:F332 R:R:I163 8.79 0 Yes No 9 8 2 2
R:R:K223 R:R:L228 5.64 0 Yes No 3 4 2 1
L:L:?1 R:R:L228 9.41 1 Yes No 0 4 0 1
R:R:N343 R:R:V235 4.43 1 Yes No 7 6 1 2
R:R:F340 R:R:S239 6.61 1 No No 7 6 1 2
R:R:I344 R:R:S239 6.19 1 No No 5 6 2 2
R:R:F243 R:R:S242 9.25 1 Yes No 8 6 1 2
L:L:?1 R:R:F243 27.11 1 Yes Yes 0 8 0 1
R:R:F332 R:R:W336 9.02 0 Yes Yes 9 8 2 1
R:R:F339 R:R:W336 7.02 1 Yes Yes 7 8 1 1
R:R:G369 R:R:W336 12.67 0 No Yes 7 8 2 1
L:L:?1 R:R:W336 23.24 1 Yes Yes 0 8 0 1
R:R:F339 R:R:N343 6.04 1 Yes Yes 7 7 1 1
R:R:F339 R:R:L362 4.87 1 Yes Yes 7 3 1 1
R:R:F339 R:R:V366 3.93 1 Yes Yes 7 6 1 1
L:L:?1 R:R:F339 21.08 1 Yes Yes 0 7 0 1
R:R:F340 R:R:I344 7.54 1 No No 7 5 1 2
L:L:?1 R:R:F340 6.02 1 Yes No 0 7 0 1
R:R:L362 R:R:T342 4.42 1 Yes No 3 5 1 2
R:R:L362 R:R:N343 6.87 1 Yes Yes 3 7 1 1
L:L:?1 R:R:N343 6.79 1 Yes Yes 0 7 0 1
L:L:?1 R:R:L362 4.28 1 Yes Yes 0 3 0 1
R:R:V366 R:R:W367 3.68 1 Yes Yes 6 6 1 2
R:R:V366 R:R:Y370 7.57 1 Yes Yes 6 7 1 2
L:L:?1 R:R:V366 4.61 1 Yes Yes 0 6 0 1
R:R:W367 R:R:Y370 15.43 1 Yes Yes 6 7 2 2
R:R:G359 R:R:L362 3.42 0 No Yes 2 3 2 1
R:R:L228 R:R:S226 1.5 0 No No 4 4 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength12.55
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell31.00
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 Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength12.55
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell31.00

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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 🔍)