CodeZDG
Name4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
Synonyms
Identifier4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
FormulaC26 H25 Cl2 N5 O4
Molecular Weight542.414
SMILESCc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-]
PubChem46912833
Formal Charge0
Total Atoms62
Total Chiral Atoms0
Total Bonds65
Total Aromatic Bonds17
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
5TGZ A Lipid Cannabinoid CB1 Homo sapiens AM6538 - - 2.8 2016-11-02 10.1016/j.cell.2016.10.004

A 2D representation of the interactions of ZDG in 5TGZ
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 3.73 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 6.43 1 Yes Yes 5 9 1 2
R:R:F102 R:R:K192 8.69 1 Yes Yes 5 6 1 2
R:R:F102 R:R:L193 3.65 1 Yes No 5 4 1 1
L:L:?1 R:R:F102 4.67 1 Yes Yes 0 5 0 1
R:R:F170 R:R:M103 7.46 1 Yes Yes 7 4 1 1
R:R:M103 R:R:S173 7.67 1 Yes No 4 4 1 2
R:R:F174 R:R:M103 4.98 1 Yes Yes 5 4 2 1
L:L:?1 R:R:M103 11.74 1 Yes Yes 0 4 0 1
L:L:?1 R:R:I105 4.56 1 Yes No 0 3 0 1
R:R:M384 R:R:S123 4.6 0 No No 5 7 1 2
R:R:F170 R:R:F174 3.22 1 Yes Yes 7 5 1 2
R:R:F170 R:R:L387 12.18 1 Yes No 7 7 1 1
L:L:?1 R:R:F170 16.34 1 Yes Yes 0 7 0 1
R:R:F268 R:R:L193 7.31 1 Yes No 5 4 1 1
L:L:?1 R:R:L193 4.42 1 Yes No 0 4 0 1
L:L:?1 R:R:V196 14.28 1 Yes No 0 7 0 1
R:R:F200 R:R:W356 29.06 1 Yes Yes 7 8 2 1
R:R:F268 R:R:I267 10.05 1 Yes Yes 5 4 1 2
R:R:F379 R:R:I267 6.28 1 Yes Yes 4 4 2 2
R:R:F268 R:R:I271 3.77 1 Yes No 5 3 1 2
R:R:F268 R:R:M363 6.22 1 Yes No 5 6 1 2
R:R:F268 R:R:F379 3.22 1 Yes Yes 5 4 1 2
L:L:?1 R:R:F268 9.34 1 Yes Yes 0 5 0 1
R:R:C386 R:R:W356 20.89 1 No Yes 7 8 1 1
R:R:N389 R:R:W356 6.78 0 Yes Yes 9 8 2 1
L:L:?1 R:R:W356 3.64 1 Yes Yes 0 8 0 1
R:R:L359 R:R:M363 4.24 1 Yes No 7 6 1 2
R:R:F379 R:R:L359 3.65 1 Yes Yes 4 7 2 1
R:R:C386 R:R:L359 6.35 1 No Yes 7 7 1 1
L:L:?1 R:R:L359 7.07 1 Yes Yes 0 7 0 1
R:R:F379 R:R:M363 3.73 1 Yes No 4 6 2 2
L:L:?1 R:R:S383 16.31 1 Yes No 0 6 0 1
L:L:?1 R:R:M384 5.42 1 Yes No 0 5 0 1
L:L:?1 R:R:C386 4.06 1 Yes No 0 7 0 1
L:L:?1 R:R:L387 3.54 1 Yes No 0 7 0 1
R:R:I169 R:R:V196 3.07 0 No No 5 7 2 1
R:R:F170 R:R:G127 3.01 1 Yes No 7 6 1 2
R:R:L126 R:R:L387 2.77 0 No No 6 7 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.11
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell37.00
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 Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.11
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell37.00

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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 🔍)