Code9JU
NameN-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide
Synonyms
Identifier~{N}-(1-adamantyl)-4-methyl-1-(5-oxidanylpentyl)-5-phenyl-pyrazole-3-carboxamide
FormulaC26 H35 N3 O2
Molecular Weight421.575
SMILESCc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5
PubChem
Formal Charge0
Total Atoms66
Total Chiral Atoms0
Total Bonds70
Total Aromatic Bonds11
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
5ZTY A Lipid Cannabinoid CB2 Homo sapiens AM10257 - - 2.8 2019-01-30 10.1016/j.cell.2018.12.011

A 2D representation of the interactions of 9JU in 5ZTY
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:F94 R:R:M26 9.95 0 Yes No 3 6 1 2
R:R:F91 R:R:V36 3.93 1 Yes No 6 5 1 2
R:R:C40 R:R:F91 4.19 0 No Yes 6 6 2 1
R:R:F87 R:R:F91 3.22 1 No Yes 6 6 1 1
L:L:?1 R:R:F87 10.25 1 Yes No 0 6 0 1
L:L:?1 R:R:S90 3.16 1 Yes No 0 4 0 1
R:R:F91 R:R:H95 12.44 1 Yes No 6 4 1 2
L:L:?1 R:R:F91 3.42 1 Yes Yes 0 6 0 1
R:R:F94 R:R:H95 6.79 0 Yes No 3 4 1 2
R:R:F106 R:R:F94 3.22 0 Yes Yes 9 3 2 1
L:L:?1 R:R:F94 6.83 1 Yes Yes 0 3 0 1
R:R:F106 R:R:I110 3.77 0 Yes Yes 9 4 2 1
R:R:F183 R:R:I110 3.77 1 No Yes 6 4 1 1
R:R:I110 R:R:I186 5.89 1 Yes Yes 4 5 1 1
L:L:?1 R:R:I110 5 1 Yes Yes 0 4 0 1
L:L:?1 R:R:V113 5.22 1 Yes No 0 5 0 1
R:R:S165 R:R:T114 6.4 0 No No 7 4 2 1
R:R:T114 R:R:W194 4.85 1 No Yes 4 5 1 1
L:L:?1 R:R:T114 5.17 1 Yes No 0 4 0 1
R:R:F117 R:R:W258 4.01 1 No Yes 6 8 1 1
L:L:?1 R:R:F117 10.25 1 Yes No 0 6 0 1
R:R:S165 R:R:T118 3.2 0 No No 7 6 2 2
R:R:T118 R:R:W194 3.64 0 No Yes 6 5 2 1
R:R:L167 R:R:W172 5.69 1 No Yes 5 5 2 2
R:R:L167 R:R:Y190 5.86 1 No Yes 5 7 2 1
R:R:I186 R:R:P168 3.39 1 Yes No 5 5 1 2
R:R:P168 R:R:Y190 12.52 0 No Yes 5 7 2 1
R:R:W172 R:R:Y190 9.65 1 Yes Yes 5 7 2 1
R:R:I186 R:R:S180 3.1 1 Yes No 5 4 1 2
R:R:F183 R:R:L182 3.65 1 No No 6 4 1 2
L:L:?1 R:R:F183 21.35 1 Yes No 0 6 0 1
R:R:I186 R:R:P187 3.39 1 Yes Yes 5 4 1 2
L:L:?1 R:R:I186 5 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y190 3.29 1 Yes Yes 0 7 0 1
R:R:I198 R:R:W194 10.57 0 No Yes 7 5 2 1
L:L:?1 R:R:W194 10.38 1 Yes Yes 0 5 0 1
R:R:L254 R:R:W258 4.56 0 No Yes 9 8 2 1
R:R:L262 R:R:W258 3.42 0 No Yes 6 8 2 1
R:R:C288 R:R:W258 3.92 1 No Yes 7 8 1 1
L:L:?1 R:R:W258 7.98 1 Yes Yes 0 8 0 1
R:R:C288 R:R:V261 3.42 1 No No 7 6 1 1
L:L:?1 R:R:V261 3.13 1 Yes No 0 6 0 1
L:L:?1 R:R:M265 5.95 1 Yes No 0 6 0 1
L:L:?1 R:R:S285 3.16 1 Yes No 0 5 0 1
L:L:?1 R:R:C288 3.34 1 Yes No 0 7 0 1
R:R:L195 R:R:M265 2.83 0 No No 4 6 2 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.64
Average Nodes In Shell35.00
Average Hubs In Shell11.00
Average Links In Shell46.00
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 Links17.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.64
Average Nodes In Shell35.00
Average Hubs In Shell11.00
Average Links In Shell46.00
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 🔍)