CodeH8G
NameLisuride
SynonymsLysuride maleate
Identifier3-[(6~{a}~{R},9~{S})-7-methyl-6,6~{a},8,9-tetrahydro-4~{H}-indolo[4,3-fg]quinolin-9-yl]-1,1-diethyl-urea
FormulaC20 H26 N4 O
Molecular Weight338.447
SMILESCCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
PubChem28864
Formal Charge0
Total Atoms51
Total Chiral Atoms2
Total Bonds54
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
6DRX A Amine 5-Hydroxytryptamine 5-HT2B Homo sapiens Lisuride - - 3.1 2018-08-29 10.1038/s41594-018-0116-7

A 2D representation of the interactions of H8G in 6DRX
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:D135 R:R:V107 4.38 0 No No 8 7 1 2
R:R:I110 R:R:W131 17.62 0 No Yes 5 6 2 1
R:R:T114 R:R:W131 3.64 0 No Yes 5 6 2 1
R:R:W121 R:R:W131 6.56 1 Yes Yes 7 6 2 1
R:R:C207 R:R:W121 10.45 1 Yes Yes 9 7 2 2
R:R:L132 R:R:W131 4.56 1 Yes Yes 5 6 1 1
R:R:C207 R:R:W131 3.92 1 Yes Yes 9 6 2 1
L:L:?1 R:R:W131 8.44 1 Yes Yes 0 6 0 1
R:R:L132 R:R:V190 4.47 1 Yes No 5 6 1 2
R:R:C207 R:R:L132 4.76 1 Yes Yes 9 5 2 1
L:L:?1 R:R:L132 4.1 1 Yes Yes 0 5 0 1
R:R:D135 R:R:Y370 6.9 0 No Yes 8 8 1 2
L:L:?1 R:R:D135 26.14 1 Yes No 0 8 0 1
L:L:?1 R:R:V136 17.66 1 Yes No 0 7 0 1
R:R:S139 R:R:W337 3.71 0 No Yes 7 8 1 2
L:L:?1 R:R:S139 5.56 1 Yes No 0 7 0 1
R:R:S183 R:R:T140 6.4 0 No Yes 8 7 2 1
R:R:I186 R:R:T140 6.08 0 No Yes 6 7 2 1
R:R:A225 R:R:T140 5.03 0 No Yes 7 7 2 1
L:L:?1 R:R:T140 4.37 1 Yes Yes 0 7 0 1
R:R:F217 R:R:P189 5.78 0 Yes No 7 8 1 2
R:R:F217 R:R:V190 5.24 0 Yes No 7 6 1 2
R:R:F214 R:R:F217 5.36 0 Yes Yes 5 7 2 1
L:L:?1 R:R:F217 9.02 1 Yes Yes 0 7 0 1
R:R:F341 R:R:S222 5.28 1 Yes No 7 7 1 2
R:R:N344 R:R:S222 5.96 0 Yes No 6 7 2 2
R:R:F226 R:R:F341 19.29 0 Yes Yes 8 7 2 1
R:R:F341 R:R:W337 8.02 1 Yes Yes 7 8 1 2
R:R:F340 R:R:F341 13.93 1 Yes Yes 7 7 1 1
R:R:F340 R:R:N344 8.46 1 Yes Yes 7 6 1 2
R:R:F340 R:R:V366 5.24 1 Yes No 7 6 1 1
L:L:?1 R:R:F340 16.24 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F341 6.32 1 Yes Yes 0 7 0 1
R:R:V366 R:R:Y370 8.83 1 No Yes 6 8 1 2
L:L:?1 R:R:V366 4.41 1 Yes No 0 6 0 1
R:R:A187 R:R:V136 3.39 0 No No 8 7 2 1
R:R:T206 R:R:V208 3.17 0 No No 4 3 2 1
R:R:F217 R:R:G221 3.01 0 Yes No 7 6 1 2
L:L:?1 R:R:V208 2.21 1 Yes No 0 3 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.50
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell39.00
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
7UM6 A Amine 5-Hydroxytryptamine 5-HT5A Homo sapiens Lisuride - chim(NtGi1-Go)/Beta1/Gamma2 2.79 2022-07-20 10.1038/s41594-022-00796-6

A 2D representation of the interactions of H8G in 7UM6
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 4.38 1 Yes Yes 8 7 1 2
R:R:V93 R:R:Y328 3.79 1 Yes Yes 7 7 2 2
R:R:L96 R:R:W117 7.97 0 No Yes 5 5 2 1
R:R:H100 R:R:W107 10.58 1 No Yes 5 8 2 2
R:R:H100 R:R:W117 8.46 1 No Yes 5 5 2 1
R:R:C114 R:R:W107 3.92 1 Yes Yes 9 8 2 2
R:R:W107 R:R:W117 4.69 1 Yes Yes 8 5 2 1
R:R:C114 R:R:W117 2.61 1 Yes Yes 9 5 2 1
L:L:?1 R:R:W117 9.28 1 Yes Yes 0 5 0 1
R:R:I118 R:R:V194 4.61 0 No No 6 4 2 1
R:R:C125 R:R:D121 3.11 1 No Yes 6 8 1 1
R:R:D121 R:R:Y328 10.34 1 Yes Yes 8 7 1 2
L:L:?1 R:R:D121 21.11 1 Yes Yes 0 8 0 1
R:R:S173 R:R:V122 3.23 0 No No 8 7 2 1
L:L:?1 R:R:V122 7.72 1 Yes No 0 7 0 1
R:R:C125 R:R:W298 2.61 1 No Yes 6 8 1 2
L:L:?1 R:R:C125 7.05 1 Yes No 0 6 0 1
R:R:T126 R:R:W130 2.43 0 Yes Yes 7 6 1 2
R:R:S169 R:R:T126 3.2 0 No Yes 8 7 2 1
R:R:A208 R:R:T126 3.36 0 No Yes 7 7 2 1
L:L:?1 R:R:T126 2.18 1 Yes Yes 0 7 0 1
R:R:I172 R:R:S204 3.1 0 No No 6 6 2 1
L:L:?1 R:R:V194 4.41 1 Yes No 0 4 0 1
R:R:E305 R:R:R196 4.65 1 Yes No 7 4 1 2
R:R:S204 R:R:Y200 6.36 0 No No 6 7 1 2
L:L:?1 R:R:S204 4.45 1 Yes No 0 6 0 1
R:R:F302 R:R:T205 5.19 1 Yes No 6 6 1 2
R:R:E305 R:R:T205 2.82 1 Yes No 7 6 1 2
R:R:F209 R:R:W298 4.01 1 Yes Yes 8 8 2 2
R:R:F209 R:R:F302 16.08 1 Yes Yes 8 6 2 1
R:R:F302 R:R:W298 5.01 1 Yes Yes 6 8 1 2
R:R:F301 R:R:F302 3.22 1 No Yes 7 6 1 1
R:R:E305 R:R:F301 2.33 1 Yes No 7 7 1 1
L:L:?1 R:R:F301 10.83 1 Yes No 0 7 0 1
L:L:?1 R:R:F302 4.51 1 Yes Yes 0 6 0 1
L:L:?1 R:R:E305 2.94 1 Yes Yes 0 7 0 1
R:R:L324 R:R:Y328 4.69 0 No Yes 5 7 1 2
L:L:?1 R:R:L324 4.1 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.14
Average Nodes In Shell29.00
Average Hubs In Shell13.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell34.00
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
7WC7 A Amine 5-Hydroxytryptamine 5-HT2A Homo sapiens Lisuride - - 2.6 2022-01-26 10.1126/science.abl8615

A 2D representation of the interactions of H8G in 7WC7
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:V127 R:R:W151 7.36 0 No Yes 8 5 2 1
R:R:D155 R:R:V127 7.3 0 No No 8 8 1 2
R:R:V130 R:R:W151 14.71 0 No Yes 4 5 2 1
R:R:W141 R:R:W151 10.31 1 Yes Yes 7 5 2 1
R:R:C227 R:R:W141 13.06 1 No Yes 9 7 2 2
R:R:C227 R:R:W151 5.22 1 No Yes 9 5 2 1
L:L:?1 R:R:W151 12.66 1 Yes Yes 0 5 0 1
R:R:D155 R:R:Y370 5.75 0 No Yes 8 7 1 2
L:L:?1 R:R:D155 29.15 1 Yes No 0 8 0 1
R:R:I210 R:R:V156 4.61 0 No No 6 6 2 1
L:L:?1 R:R:V156 15.45 1 Yes No 0 6 0 1
L:L:?1 R:R:S159 5.56 1 Yes No 0 7 0 1
R:R:S242 R:R:T160 9.59 0 No No 6 7 1 2
R:R:F234 R:R:L229 4.87 0 Yes No 7 4 2 1
R:R:F340 R:R:S239 3.96 1 Yes No 7 6 1 2
L:L:?1 R:R:S242 4.45 1 Yes No 0 6 0 1
R:R:F243 R:R:F340 27.86 0 Yes Yes 8 7 2 1
R:R:F332 R:R:W336 9.02 1 Yes Yes 9 8 2 1
R:R:F339 R:R:W336 6.01 1 Yes Yes 7 8 1 1
R:R:F340 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 5.91 1 Yes Yes 0 8 0 1
R:R:F339 R:R:F340 7.5 1 Yes Yes 7 7 1 1
R:R:F339 R:R:N343 12.08 1 Yes No 7 7 1 2
R:R:F339 R:R:L362 7.31 1 Yes No 7 3 1 2
L:L:?1 R:R:F339 15.34 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F340 11.73 1 Yes Yes 0 7 0 1
R:R:L362 R:R:N343 8.24 1 No No 3 7 2 2
R:R:V366 R:R:Y370 6.31 0 No Yes 6 7 1 2
L:L:?1 R:R:V366 4.41 1 Yes No 0 6 0 1
L:L:?1 R:R:G238 3.8 1 Yes No 0 6 0 1
R:R:G238 R:R:I237 3.53 0 No No 6 4 1 2
L:L:?1 R:R:L229 3.08 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.14
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell28.00
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 Strength8.93
Average Nodes In Shell29.00
Average Hubs In Shell12.33
Average Links In Shell36.67
Average Links Mediated by Hubs In Shell32.67

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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 🔍)