Code7RU
NameCariprazine
SynonymsCariprazine
Identifier3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea
FormulaC21 H32 Cl2 N4 O
Molecular Weight427.411
SMILESCN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
PubChem
Formal Charge0
Total Atoms60
Total Chiral Atoms0
Total Bonds62
Total Aromatic Bonds6
Networks1
 missing image

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
7VOD A Amine 5-Hydroxytryptamine 5-HT2A Homo sapiens Cariprazine - - 3.3 2021-12-22 10.1038/s41593-021-00971-w

A 2D representation of the interactions of 7RU in 7VOD
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 4.9 1 Yes Yes 8 5 2 1
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:V130 R:R:W151 11.03 0 No Yes 4 5 2 1
R:R:W141 R:R:W151 6.56 1 Yes Yes 7 5 2 1
R:R:C227 R:R:W141 10.45 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 6.01 1 Yes Yes 0 5 0 1
R:R:D155 R:R:Y370 10.34 1 No Yes 8 7 1 2
L:L:?1 R:R:D155 22.38 1 Yes No 0 8 0 1
L:L:?1 R:R:S159 8.92 1 Yes No 0 7 0 1
R:R:F332 R:R:K162 12.41 1 Yes Yes 9 9 1 2
R:R:K162 R:R:N372 6.99 1 Yes No 9 9 2 2
R:R:F243 R:R:I163 6.28 0 No No 8 8 1 2
R:R:F332 R:R:I163 3.77 1 Yes No 9 8 1 2
R:R:F332 R:R:L166 4.87 1 Yes No 9 8 1 2
L:L:?1 R:R:L228 4.57 1 Yes No 0 4 0 1
R:R:F340 R:R:S239 5.28 1 No No 7 6 1 2
R:R:I344 R:R:S239 4.64 1 Yes No 5 6 2 2
R:R:F243 R:R:S242 3.96 0 No No 8 6 1 2
L:L:?1 R:R:F243 13.66 1 Yes No 0 8 0 1
R:R:F332 R:R:W336 9.02 1 Yes Yes 9 8 1 1
R:R:F332 R:R:N372 7.25 1 Yes No 9 9 1 2
L:L:?1 R:R:F332 4.82 1 Yes Yes 0 9 0 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 25.55 1 Yes Yes 0 8 0 1
R:R:F339 R:R:N343 9.67 1 Yes No 7 7 1 2
R:R:F339 R:R:L362 4.87 1 Yes No 7 3 1 2
R:R:F339 R:R:V366 5.24 1 Yes No 7 6 1 2
L:L:?1 R:R:F339 8.84 1 Yes Yes 0 7 0 1
R:R:F340 R:R:I344 7.54 1 No Yes 7 5 1 2
L:L:?1 R:R:F340 17.68 1 Yes No 0 7 0 1
R:R:L362 R:R:N343 5.49 1 No No 3 7 2 2
R:R:V366 R:R:Y370 8.83 0 No Yes 6 7 2 2
L:L:?1 R:R:V333 1.97 1 Yes No 0 6 0 1
R:R:A230 R:R:L228 1.58 0 No No 3 4 2 1
R:R:L247 R:R:V333 1.49 0 No No 6 6 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength11.44
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell32.00
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 Hub4.00
Average Interaction Strength11.44
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell32.00

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 🔍)