Code7DY
NameTaranabant
SynonymsTaranabant
Identifier~{N}-[(2~{S},3~{S})-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-propanamide
FormulaC27 H25 Cl F3 N3 O2
Molecular Weight515.955
SMILESC[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F
PubChem11226090
Formal Charge0
Total Atoms61
Total Chiral Atoms2
Total Bonds63
Total Aromatic Bonds18
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
5U09 A Lipid Cannabinoid CB1 Homo sapiens Taranabant - - 2.6 2016-12-07 10.1038/nature20613

A 2D representation of the interactions of 7DY in 5U09
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:F102 R:R:M103 6.22 1 Yes Yes 5 4 1 1
R:R:F102 R:R:S173 5.28 1 Yes No 5 4 1 2
R:R:F102 R:R:F189 7.5 1 Yes Yes 5 9 1 2
R:R:F102 R:R:K192 9.93 1 Yes Yes 5 6 1 2
L:L:?9 R:R:F102 4.11 1 Yes Yes 0 5 0 1
R:R:F170 R:R:M103 6.22 1 Yes Yes 7 4 1 1
R:R:M103 R:R:S173 4.6 1 Yes No 4 4 1 2
L:L:?9 R:R:M103 11.14 1 Yes Yes 0 4 0 1
R:R:E106 R:R:I105 6.83 1 No Yes 4 3 2 1
R:R:I105 R:R:M109 4.37 1 Yes No 3 3 1 2
R:R:I105 R:R:L111 4.28 1 Yes Yes 3 4 1 2
L:L:?9 R:R:I105 16.07 1 Yes Yes 0 3 0 1
R:R:E106 R:R:L111 10.6 1 No Yes 4 4 2 2
R:R:F108 R:R:K376 8.69 0 Yes No 5 2 1 2
R:R:F108 R:R:F379 10.72 0 Yes Yes 5 4 1 2
R:R:A380 R:R:F108 4.16 0 No Yes 4 5 2 1
L:L:?9 R:R:F108 5.48 1 Yes Yes 0 5 0 1
R:R:F170 R:R:S123 6.61 1 Yes No 7 7 1 1
R:R:F174 R:R:S123 6.61 0 Yes No 5 7 2 1
L:L:?9 R:R:S123 5.07 1 Yes No 0 7 0 1
R:R:F170 R:R:M384 3.73 1 Yes No 7 5 1 1
R:R:F170 R:R:L387 10.96 1 Yes No 7 7 1 2
L:L:?9 R:R:F170 8.23 1 Yes Yes 0 7 0 1
R:R:K192 R:R:S173 12.24 1 Yes No 6 4 2 2
R:R:F189 R:R:L193 3.65 1 Yes No 9 4 2 2
R:R:F268 R:R:L193 8.53 1 Yes No 5 4 1 2
L:L:?9 R:R:V196 16.77 1 Yes No 0 7 0 1
R:R:F268 R:R:I267 10.05 1 Yes Yes 5 4 1 2
R:R:I267 R:R:M363 4.37 1 Yes Yes 4 6 2 2
R:R:F379 R:R:I267 12.56 0 Yes Yes 4 4 2 2
R:R:F268 R:R:M363 3.73 1 Yes Yes 5 6 1 2
L:L:?9 R:R:F268 4.8 1 Yes Yes 0 5 0 1
R:R:C386 R:R:W356 15.67 0 No Yes 7 8 1 2
R:R:F379 R:R:S383 3.96 0 Yes No 4 6 2 1
L:L:?9 R:R:S383 16.9 1 Yes No 0 6 0 1
L:L:?9 R:R:M384 11.14 1 Yes No 0 5 0 1
L:L:?9 R:R:C386 5.36 1 Yes No 0 7 0 1
R:R:F170 R:R:G127 3.01 1 Yes No 7 6 1 2
L:L:?9 R:R:G166 2.89 1 Yes No 0 8 0 1
R:R:C107 R:R:F108 2.79 0 No Yes 2 5 2 1
R:R:F170 R:R:V171 2.62 1 Yes No 7 7 1 2
R:R:G166 R:R:I169 1.76 0 No No 8 5 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.00
Average Nodes In Shell32.00
Average Hubs In Shell15.00
Average Links In Shell42.00
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 Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.00
Average Nodes In Shell32.00
Average Hubs In Shell15.00
Average Links In Shell42.00
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 🔍)