CodeXWD
Name4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one
Synonyms
Identifier
Formulan/a
Molecular Weight409.389
SMILES
PubChem172458163
Formal Charge0
Total Atoms47
Total Chiral Atoms1
Total Bonds51
Total Aromatic Bonds21
Networks2
 missing image

This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8X3L A Lipid Cannabinoid CB2 Homo Sapiens XWD - Gi1/Beta1/Gamma2 3.13 2024-11-20 doi.org/10.1073/pnas.2401091121

A 2D representation of the interactions of XWD in 8X3L
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:F87 5.84 3 Yes Yes 0 6 0 1
L:L:?1 R:R:S90 2.4 3 Yes No 0 4 0 1
L:L:?1 R:R:F91 1.95 3 Yes Yes 0 6 0 1
L:L:?1 R:R:F94 7.79 3 Yes No 0 3 0 1
L:L:?1 R:R:I110 5.71 3 Yes No 0 4 0 1
L:L:?1 R:R:V113 2.38 3 Yes No 0 5 0 1
L:L:?1 R:R:T114 10.61 3 Yes No 0 4 0 1
L:L:?1 R:R:F117 2.92 3 Yes Yes 0 6 0 1
L:L:?1 R:R:F183 17.53 3 Yes Yes 0 6 0 1
L:L:?1 R:R:Y190 1.87 3 Yes Yes 0 7 0 1
L:L:?1 R:R:L191 2.21 3 Yes Yes 0 5 0 1
L:L:?1 R:R:W194 22.77 3 Yes Yes 0 5 0 1
L:L:?1 R:R:M265 4.52 3 Yes No 0 6 0 1
L:L:?1 R:R:F281 6.82 3 Yes No 0 4 0 1
L:L:?1 R:R:S285 12.01 3 Yes No 0 5 0 1
L:L:?1 R:R:C288 2.54 3 Yes Yes 0 7 0 1
R:R:F94 R:R:M26 3.73 3 No Yes 3 6 1 2
R:R:H95 R:R:M26 3.94 3 Yes Yes 4 6 2 2
R:R:C40 R:R:F91 2.79 0 No Yes 6 6 2 1
R:R:A83 R:R:F117 4.16 0 No Yes 8 6 2 1
R:R:V113 R:R:V86 3.21 0 No No 5 4 1 2
R:R:F87 R:R:S90 2.64 3 Yes No 6 4 1 1
R:R:F87 R:R:F91 10.72 3 Yes Yes 6 6 1 1
R:R:F87 R:R:S285 5.28 3 Yes No 6 5 1 1
R:R:K109 R:R:S90 3.06 0 No No 5 4 2 1
R:R:F91 R:R:H95 9.05 3 Yes Yes 6 4 1 2
R:R:A282 R:R:F91 2.77 0 No Yes 4 6 2 1
R:R:F94 R:R:H95 9.05 3 No Yes 3 4 1 2
R:R:F106 R:R:K109 2.48 0 No No 9 5 2 2
R:R:F106 R:R:I110 10.05 0 No No 9 4 2 1
R:R:F106 R:R:P184 8.67 0 No No 9 5 2 2
R:R:S165 R:R:T114 3.2 0 No No 7 4 2 1
R:R:T114 R:R:W194 3.64 3 No Yes 4 5 1 1
R:R:F117 R:R:W258 5.01 3 Yes Yes 6 8 1 2
R:R:C288 R:R:F117 2.79 3 Yes Yes 7 6 1 1
R:R:T118 R:R:W194 2.43 0 No Yes 6 5 2 1
R:R:L167 R:R:P168 4.93 3 No No 5 5 2 2
R:R:L167 R:R:Y190 11.72 3 No Yes 5 7 2 1
R:R:P168 R:R:Y190 6.95 3 No Yes 5 7 2 1
R:R:L191 R:R:S180 3 3 Yes No 5 4 1 2
R:R:F183 R:R:P184 4.33 3 Yes No 6 5 1 2
R:R:F183 R:R:I186 5.02 3 Yes No 6 5 1 2
R:R:F183 R:R:L191 2.44 3 Yes Yes 6 5 1 1
R:R:S193 R:R:Y190 3.82 0 No Yes 5 7 2 1
R:R:L191 R:R:L269 5.54 3 Yes No 5 3 1 2
R:R:L195 R:R:W194 2.28 0 No Yes 4 5 2 1
R:R:I198 R:R:W194 10.57 0 No Yes 7 5 2 1
R:R:M265 R:R:W194 5.82 3 No Yes 6 5 1 1
R:R:C288 R:R:W258 2.61 3 Yes Yes 7 8 1 2
R:R:C288 R:R:V261 5.12 3 Yes No 7 6 1 2
R:R:F281 R:R:L264 7.31 0 No No 4 4 1 2
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub8.00
Average Interaction Strength6.87
Average Nodes In Shell39.00
Average Hubs In Shell12.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell43.00
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 Links14.50
Average Number Of Links With An Hub7.00
Average Interaction Strength7.41
Average Nodes In Shell36.50
Average Hubs In Shell11.50
Average Links In Shell46.50
Average Links Mediated by Hubs In Shell39.50

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)