CodeNN6
Name~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2,4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide
Synonyms
Identifier~{N}-[bis(azanyl)methylidene]-5-fluoranyl-8-[2,4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide
FormulaC17 H14 F4 N4 O
Molecular Weight366.313
SMILESc1cc(c2c(c1c3c(cc(cc3F)F)F)CN(CC2)C(=O)N=C(N)N)F
PubChem60152964
Formal Charge0
Total Atoms40
Total Chiral Atoms0
Total Bonds42
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
7UM4 A Amine 5-Hydroxytryptamine 5-HT5A Homo sapiens AS2674723 - - 2.8 2022-07-20 10.1038/s41594-022-00796-6

A 2D representation of the interactions of NN6 in 7UM4
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 10.22 1 No No 8 7 1 2
R:R:V93 R:R:Y328 5.05 1 No Yes 7 7 2 2
R:R:E101 R:R:S97 10.06 0 Yes No 5 6 1 2
R:R:S97 R:R:W325 7.41 1 No Yes 6 6 2 2
R:R:S97 R:R:Y328 5.09 1 No Yes 6 7 2 2
R:R:E101 R:R:W117 8.72 0 Yes No 5 5 1 2
R:R:E101 R:R:Q193 6.37 0 Yes No 5 4 1 2
L:L:?1 R:R:E101 8.9 1 Yes Yes 0 5 0 1
R:R:I118 R:R:V194 4.61 0 No No 6 4 2 1
R:R:D121 R:R:Y328 8.05 1 No Yes 8 7 1 2
L:L:?1 R:R:D121 14.59 1 Yes No 0 8 0 1
R:R:S173 R:R:V122 6.46 0 Yes No 8 7 2 1
L:L:?1 R:R:V122 4 1 Yes No 0 7 0 1
R:R:C125 R:R:W298 5.22 0 No Yes 6 8 1 2
L:L:?1 R:R:C125 4.27 1 Yes No 0 6 0 1
R:R:S169 R:R:T126 6.4 0 No No 8 7 2 1
R:R:A208 R:R:T126 5.03 1 No No 7 7 1 1
L:L:?1 R:R:T126 3.96 1 Yes No 0 7 0 1
R:R:P176 R:R:Y200 12.52 0 Yes Yes 7 7 2 1
L:L:?1 R:R:V194 11.01 1 Yes No 0 4 0 1
R:R:S204 R:R:Y200 5.09 1 No Yes 6 7 1 1
L:L:?1 R:R:Y200 5.51 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S204 15.13 1 Yes No 0 6 0 1
R:R:T205 R:R:Y210 4.99 1 Yes No 6 5 1 2
R:R:F302 R:R:T205 5.19 1 Yes Yes 6 6 1 1
L:L:?1 R:R:T205 3.96 1 Yes Yes 0 6 0 1
L:L:?1 R:R:A208 4.24 1 Yes No 0 7 0 1
R:R:F209 R:R:Y210 8.25 0 No No 8 5 2 2
R:R:F209 R:R:F302 22.51 0 No Yes 8 6 2 1
R:R:F301 R:R:W298 7.02 1 Yes Yes 7 8 1 2
R:R:F302 R:R:W298 8.02 1 Yes Yes 6 8 1 2
R:R:F301 R:R:F302 9.65 1 Yes Yes 7 6 1 1
R:R:E305 R:R:F301 13.99 1 No Yes 7 7 1 1
R:R:F301 R:R:K320 4.96 1 Yes No 7 4 1 2
R:R:F301 R:R:L324 6.09 1 Yes Yes 7 5 1 1
L:L:?1 R:R:F301 9 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F302 7.37 1 Yes Yes 0 6 0 1
R:R:E305 R:R:K320 5.4 1 No No 7 4 1 2
L:L:?1 R:R:E305 12.47 1 Yes No 0 7 0 1
R:R:L324 R:R:W325 4.56 1 Yes Yes 5 6 1 2
R:R:L324 R:R:Y328 15.24 1 Yes Yes 5 7 1 2
L:L:?1 R:R:L324 10.23 1 Yes Yes 0 5 0 1
R:R:W325 R:R:Y328 8.68 1 Yes Yes 6 7 2 2
L:L:?1 R:R:A201 2.12 1 Yes No 0 6 0 1
R:R:T205 R:R:V206 1.59 1 Yes No 6 4 1 2
R:R:E197 R:R:Y200 1.12 1 Yes Yes 6 7 2 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.78
Average Nodes In Shell32.00
Average Hubs In Shell13.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell40.00
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 Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.78
Average Nodes In Shell32.00
Average Hubs In Shell13.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell40.00

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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 🔍)