CodeXY8
Name3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
Synonyms
Identifier
FormulaC22 H26 F2 N6
Molecular Weight412.479
SMILES
PubChem118310209
Formal Charge0
Total Atoms56
Total Chiral Atoms0
Total Bonds59
Total Aromatic Bonds17
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
8T1V A Orphan Orphan GPR6 Homo Sapiens PubChem 118310209 Na - 2.6 2024-12-04 doi.org/10.1126/scisignal.ado8741

A 2D representation of the interactions of XY8 in 8T1V
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 7.21 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L148 16.39 1 Yes No 0 5 0 1
L:L:?1 R:R:V149 4.64 1 Yes Yes 0 5 0 1
L:L:?1 R:R:F152 16.7 1 Yes No 0 6 0 1
L:L:?1 R:R:V219 8.36 1 Yes Yes 0 4 0 1
L:L:?1 R:R:V227 3.71 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L230 8.63 1 Yes No 0 6 0 1
L:L:?1 R:R:S231 3.74 1 Yes No 0 4 0 1
L:L:?1 R:R:W292 10.65 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F295 10.63 1 Yes Yes 0 6 0 1
L:L:?1 R:R:C299 2.97 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L315 11.21 1 Yes Yes 0 5 0 1
L:L:?1 R:R:T319 3.67 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 17.31 1 Yes No 5 5 1 2
R:R:H128 R:R:S141 2.79 1 Yes No 5 9 1 2
R:R:H128 R:R:T144 4.11 1 Yes No 5 5 1 2
R:R:H128 R:R:R220 4.51 1 Yes No 5 4 1 2
R:R:S141 R:R:T144 3.2 1 No No 9 5 2 2
R:R:G146 R:R:V149 3.68 0 No Yes 6 5 2 1
R:R:G200 R:R:V149 3.68 0 No Yes 6 5 2 1
R:R:L222 R:R:V149 4.47 0 Yes Yes 4 5 2 1
R:R:F152 R:R:F234 10.72 1 No Yes 6 7 1 2
R:R:F152 R:R:W292 24.05 1 No Yes 6 8 1 1
R:R:L199 R:R:L230 2.77 0 No No 5 6 2 1
R:R:S217 R:R:V227 9.7 0 No Yes 6 5 2 1
R:R:V218 R:R:V219 3.21 1 No Yes 4 4 2 1
R:R:T311 R:R:V218 6.35 1 No No 4 4 2 2
R:R:L222 R:R:V219 5.96 0 Yes Yes 4 4 2 1
R:R:F295 R:R:V219 5.24 1 Yes Yes 6 4 1 1
R:R:L315 R:R:V219 2.98 1 Yes Yes 5 4 1 1
R:R:L222 R:R:V227 4.47 0 Yes Yes 4 5 2 1
R:R:C299 R:R:V227 5.12 1 Yes Yes 6 5 1 1
R:R:C299 R:R:S231 3.44 1 Yes No 6 4 1 1
R:R:S231 R:R:V300 3.23 1 No Yes 4 5 1 2
R:R:F234 R:R:F288 5.36 1 Yes Yes 7 9 2 2
R:R:F288 R:R:W292 10.02 1 Yes Yes 9 8 2 1
R:R:F288 R:R:N321 6.04 1 Yes Yes 9 9 2 2
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 5.59 1 Yes Yes 6 6 1 1
R:R:F295 R:R:T314 7.78 1 Yes No 6 6 1 2
R:R:F295 R:R:L315 7.31 1 Yes Yes 6 5 1 1
R:R:L315 R:R:T311 2.95 1 Yes No 5 4 1 2
R:R:L316 R:R:T319 2.95 0 Yes No 5 6 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.35
Average Nodes In Shell33.00
Average Hubs In Shell15.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00
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 Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.35
Average Nodes In Shell33.00
Average Hubs In Shell15.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00

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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 🔍)