CodeX7T
NameCVN-424
Synonyms
  • ETHANONE, 1-(2-(4-(2,4-DIFLUOROPHENOXY)-1-PIPERIDINYL)-7,8-DIHYDRO-3-(((3R)-TETRAHYDRO-3-FURANYL)AMINO)PYRIDO(3,4-B)PYRAZIN-6(5H)-YL)-
  • CVN-424
Identifier
FormulaC24 H29 F2 N5 O3
Molecular Weight473.516
SMILES
PubChem137359492
Formal Charge0
Total Atoms63
Total Chiral Atoms1
Total Bonds67
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
8T1W A Orphan Orphan GPR6 Homo Sapiens CVN424 - - 3.49 2024-12-04 doi.org/10.1126/scisignal.ado8741

A 2D representation of the interactions of X7T in 8T1W
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:H128 16.07 1 Yes No 0 5 0 1
L:L:?1 R:R:L148 19.77 1 Yes No 0 5 0 1
L:L:?1 R:R:F152 10.87 1 Yes No 0 6 0 1
L:L:?1 R:R:V219 12.41 1 Yes Yes 0 4 0 1
L:L:?1 R:R:L230 5.77 1 Yes No 0 6 0 1
L:L:?1 R:R:S231 4.47 1 Yes No 0 4 0 1
L:L:?1 R:R:W292 8.81 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F295 14.5 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L315 6.59 1 Yes No 0 5 0 1
L:L:?1 R:R:T319 6.14 1 Yes No 0 6 0 1
R:R:G124 R:R:L148 3.42 0 No No 5 5 2 1
R:R:H128 R:R:Q132 14.84 0 No No 5 5 1 2
R:R:H128 R:R:T144 5.48 0 No No 5 5 1 2
R:R:L148 R:R:S151 3 0 No No 5 6 1 2
R:R:F152 R:R:F234 8.57 1 No Yes 6 7 1 2
R:R:F152 R:R:W292 24.05 1 No Yes 6 8 1 1
R:R:V218 R:R:V219 3.21 1 No Yes 4 4 2 1
R:R:L222 R:R:V219 5.96 0 Yes Yes 4 4 2 1
R:R:F295 R:R:V219 3.93 1 Yes Yes 6 4 1 1
R:R:C299 R:R:S231 3.44 0 No No 6 4 2 1
R:R:S231 R:R:V300 3.23 0 No No 4 5 1 2
R:R:F234 R:R:F288 6.43 0 Yes Yes 7 9 2 2
R:R:F288 R:R:W292 13.03 1 Yes Yes 9 8 2 1
R:R:F288 R:R:N321 8.46 1 Yes Yes 9 9 2 2
R:R:F295 R:R:W292 3.01 1 Yes Yes 6 8 1 1
R:R:A318 R:R:W292 10.37 0 No Yes 7 8 2 1
R:R:N321 R:R:W292 5.65 1 Yes Yes 9 8 2 1
R:R:C299 R:R:F295 8.38 0 No Yes 6 6 2 1
R:R:F295 R:R:T314 9.08 1 Yes No 6 6 1 2
R:R:F295 R:R:L315 7.31 1 Yes No 6 5 1 1
L:L:?1 R:R:A296 2.81 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.84
Average Nodes In Shell25.00
Average Hubs In Shell8.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell25.00
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 Hub3.00
Average Interaction Strength9.84
Average Nodes In Shell25.00
Average Hubs In Shell8.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell25.00

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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 🔍)