Code8NU
NameRisperidone
Synonyms
  • Risperidone tartrate
  • Risperidonum
  • Rispéridone
  • Risperidona
  • Risperidone
Identifier3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
FormulaC23 H27 F N4 O2
Molecular Weight410.484
SMILESCC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
PubChem5073
Formal Charge0
Total Atoms57
Total Chiral Atoms0
Total Bonds61
Total Aromatic Bonds10
Networks2
 missing image

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
6A93 A Amine 5-Hydroxytryptamine 5-HT2A Homo sapiens Risperidone - - 3 2019-02-13 10.1038/s41594-018-0180-z

A 2D representation of the interactions of 8NU in 6A93
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:L123 R:R:V127 4.47 0 No No 7 8 2 2
R:R:L123 R:R:Y370 5.86 0 No Yes 7 7 2 1
R:R:D155 R:R:V127 7.3 1 No No 8 8 1 2
R:R:M128 R:R:W367 5.82 1 Yes Yes 8 6 2 2
R:R:M128 R:R:Y370 16.76 1 Yes Yes 8 7 2 1
R:R:S131 R:R:W367 6.18 0 No Yes 7 6 1 2
L:L:?1 R:R:S131 3.77 1 Yes No 0 7 0 1
R:R:N363 R:R:Y139 13.96 0 No Yes 4 3 1 2
R:R:D155 R:R:Y370 8.05 1 No Yes 8 7 1 1
L:L:?1 R:R:D155 11.92 1 Yes No 0 8 0 1
R:R:S207 R:R:V156 4.85 0 No No 7 6 2 1
R:R:I210 R:R:V156 4.61 0 No No 6 6 2 1
L:L:?1 R:R:V156 4.67 1 Yes No 0 6 0 1
L:L:?1 R:R:S159 16.02 1 Yes No 0 7 0 1
R:R:F332 R:R:K162 13.65 1 Yes Yes 9 9 1 2
R:R:I163 R:R:W164 3.52 1 Yes Yes 8 6 1 2
R:R:I163 R:R:P246 8.47 1 Yes Yes 8 9 1 2
R:R:F332 R:R:I163 7.54 1 Yes Yes 9 8 1 1
L:L:?1 R:R:I163 7.16 1 Yes Yes 0 8 0 1
R:R:P246 R:R:W164 20.27 1 Yes Yes 9 6 2 2
R:R:F332 R:R:L166 4.87 1 Yes No 9 8 1 2
R:R:K223 R:R:L228 9.87 0 No No 3 4 2 1
R:R:L228 R:R:S226 6.01 0 No No 4 4 1 2
L:L:?1 R:R:L228 11.29 1 Yes No 0 4 0 1
R:R:F340 R:R:S239 5.28 1 Yes No 7 6 1 2
R:R:F243 R:R:F340 28.94 0 No Yes 8 7 2 1
R:R:F332 R:R:W336 9.02 1 Yes Yes 9 8 1 1
R:R:F332 R:R:S372 3.96 1 Yes Yes 9 9 1 2
L:L:?1 R:R:F332 5.35 1 Yes Yes 0 9 0 1
R:R:F339 R:R:W336 7.02 1 Yes Yes 7 8 1 1
R:R:F340 R:R:W336 5.01 1 Yes Yes 7 8 1 1
R:R:G369 R:R:W336 12.67 1 No Yes 7 8 2 1
R:R:W336 R:R:Y370 3.86 1 Yes Yes 8 7 1 1
R:R:S372 R:R:W336 6.18 1 Yes Yes 9 8 2 1
L:L:?1 R:R:W336 16.44 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 6.04 1 Yes No 7 7 1 2
R:R:F339 R:R:V366 5.24 1 Yes No 7 6 1 1
L:L:?1 R:R:F339 5.35 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F340 10.7 1 Yes Yes 0 7 0 1
R:R:L362 R:R:T342 5.9 0 Yes No 3 5 1 2
R:R:L362 R:R:N343 4.12 0 Yes No 3 7 1 2
L:L:?1 R:R:L362 4.34 1 Yes Yes 0 3 0 1
L:L:?1 R:R:N363 5.17 1 Yes No 0 4 0 1
R:R:V366 R:R:Y370 3.79 1 No Yes 6 7 1 1
L:L:?1 R:R:V366 11.22 1 Yes No 0 6 0 1
R:R:W367 R:R:Y370 12.54 1 Yes Yes 6 7 2 1
R:R:G369 R:R:S372 3.71 1 No Yes 7 9 2 2
L:L:?1 R:R:Y370 7.36 1 Yes Yes 0 7 0 1
R:R:G359 R:R:L362 1.71 0 No Yes 2 3 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.63
Average Nodes In Shell35.00
Average Hubs In Shell15.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell44.00
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
6CM4 A Amine Dopamine D2 Homo sapiens Risperidone - - 2.87 2018-03-14 10.1038/nature25758

A 2D representation of the interactions of 8NU in 6CM4
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:D114 R:R:V87 5.84 1 No No 8 8 1 2
R:R:V87 R:R:Y416 3.79 1 No Yes 8 8 2 1
R:R:M88 R:R:Y416 4.79 0 Yes Yes 9 8 2 1
R:R:V91 R:R:Y416 6.31 0 No Yes 8 8 2 1
R:R:L94 R:R:W100 20.5 0 No Yes 7 9 2 1
R:R:F102 R:R:W100 7.02 0 No Yes 7 9 2 1
R:R:I184 R:R:W100 4.7 2 Yes Yes 7 9 2 1
L:L:?1 R:R:W100 6.43 1 Yes Yes 0 9 0 1
R:R:D114 R:R:Y416 9.2 1 No Yes 8 8 1 1
L:L:?1 R:R:D114 13.62 1 Yes No 0 8 0 1
R:R:L170 R:R:V115 4.47 2 Yes No 8 8 2 1
L:L:?1 R:R:V115 6.54 1 Yes No 0 8 0 1
L:L:?1 R:R:C118 9.96 1 Yes No 0 8 0 1
R:R:S197 R:R:T119 9.59 0 No No 8 8 1 2
R:R:F382 R:R:L125 7.31 1 Yes No 9 8 1 2
R:R:F390 R:R:S194 5.28 1 Yes No 8 8 1 2
L:L:?1 R:R:S197 6.6 1 Yes No 0 8 0 1
R:R:F198 R:R:Y199 7.22 1 No No 9 7 1 2
R:R:F198 R:R:F390 26.79 1 No Yes 9 8 1 1
L:L:?1 R:R:F198 3.82 1 Yes No 0 9 0 1
R:R:F390 R:R:Y199 4.13 1 Yes No 8 7 1 2
R:R:F382 R:R:W386 9.02 1 Yes Yes 9 9 1 1
R:R:F382 R:R:N418 9.67 1 Yes No 9 9 1 2
L:L:?1 R:R:F382 3.06 1 Yes Yes 0 9 0 1
R:R:F389 R:R:W386 6.01 1 Yes Yes 8 9 1 1
R:R:F390 R:R:W386 5.01 1 Yes Yes 8 9 1 1
R:R:G415 R:R:W386 12.67 0 No Yes 8 9 2 1
L:L:?1 R:R:W386 15.01 1 Yes Yes 0 9 0 1
R:R:F389 R:R:F390 10.72 1 Yes Yes 8 8 1 1
R:R:F389 R:R:H393 9.05 1 Yes No 8 8 1 2
R:R:F389 R:R:T412 7.78 1 Yes No 8 8 1 1
L:L:?1 R:R:F389 9.17 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F390 5.35 1 Yes Yes 0 8 0 1
R:R:T392 R:R:Y408 9.99 0 No Yes 5 5 2 1
R:R:H393 R:R:Y408 8.71 0 No Yes 8 5 2 1
R:R:N396 R:R:Y408 5.81 0 No Yes 5 5 2 1
L:L:?1 R:R:Y408 8.83 1 Yes Yes 0 5 0 1
R:R:T412 R:R:Y416 3.75 1 No Yes 8 8 1 1
L:L:?1 R:R:T412 12.95 1 Yes No 0 8 0 1
L:L:?1 R:R:Y416 7.36 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S409 0.94 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.83
Average Nodes In Shell31.00
Average Hubs In Shell11.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell38.00
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 Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.23
Average Nodes In Shell33.00
Average Hubs In Shell13.00
Average Links In Shell45.50
Average Links Mediated by Hubs In Shell41.00

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 🔍)