CodeOXJ
Name1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
Synonyms
Identifier1-[3,5-bis(trifluoromethyl)phenyl]-~{N}-methyl-methanamine
FormulaC10 H9 F6 N
Molecular Weight257.176
SMILESCNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
PubChem10956204
Formal Charge0
Total Atoms26
Total Chiral Atoms0
Total Bonds26
Total Aromatic Bonds6
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
6PT2 A Peptide Opioid DOP Homo sapiens KGCHM07 - - 2.8 2019-12-11 10.1126/sciadv.aax9115

A 2D representation of the interactions of OXJ in 6PT2
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:K214 R:R:V281 4.55 1 Yes Yes 5 6 2 1
R:R:K214 R:R:W284 3.48 1 Yes No 5 4 2 1
L:L:?2 R:R:K214 3.38 1 Yes Yes 0 5 1 2
R:R:I277 R:R:V281 3.07 1 Yes Yes 5 6 2 1
R:R:C303 R:R:I277 3.27 0 No Yes 6 5 2 2
R:R:I277 R:R:I304 2.94 1 Yes Yes 5 5 2 2
L:L:?1 R:R:I277 5.51 1 Yes Yes 0 5 2 2
R:R:F280 R:R:L300 7.31 1 Yes No 5 5 1 1
R:R:C303 R:R:F280 4.19 0 No Yes 6 5 2 1
L:L:?5 R:R:F280 8.89 1 Yes Yes 0 5 0 1
L:L:?2 R:R:V281 3.57 1 Yes Yes 0 6 1 1
L:L:?5 R:R:V281 6.92 1 Yes Yes 0 6 0 1
R:R:I289 R:R:V283 3.07 0 No No 1 4 1 2
L:L:?2 R:R:W284 3.64 1 Yes No 0 4 1 1
L:L:?5 R:R:W284 49.14 1 Yes No 0 4 0 1
R:R:I289 R:R:V296 4.61 0 No No 1 5 1 2
L:L:?5 R:R:I289 5.68 1 Yes No 0 1 0 1
L:L:?5 R:R:R291 10.48 1 Yes No 0 1 0 1
R:R:I304 R:R:L300 5.71 1 Yes No 5 5 2 1
L:L:?5 R:R:L300 16.54 1 Yes No 0 5 0 1
L:L:?1 R:R:I304 3.3 1 Yes Yes 0 5 2 2
L:L:?2 R:R:I304 3.42 1 Yes Yes 0 5 1 2
L:L:?1 L:L:?2 23.05 1 Yes Yes 0 0 2 1
L:L:?2 L:L:?4 17.2 1 Yes No 0 0 1 1
L:L:?2 L:L:?5 12.49 1 Yes Yes 0 0 1 0
L:L:?4 L:L:F3 10.1 1 No Yes 0 0 1 2
L:L:?4 L:L:?5 15.23 1 No Yes 0 0 1 0
R:R:A299 R:R:F280 1.39 0 No Yes 5 5 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength15.67
Average Nodes In Shell18.00
Average Hubs In Shell9.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell26.00
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 Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength15.67
Average Nodes In Shell18.00
Average Hubs In Shell9.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell26.00

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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 🔍)