CodeDNZ
Name(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Synonyms
Identifier(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
FormulaC21 H23 Cl N2 O3
Molecular Weight386.872
SMILESC[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N
PubChem132473035
Formal Charge0
Total Atoms50
Total Chiral Atoms2
Total Bonds53
Total Aromatic Bonds12
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
6FK8 A Sensory Opsins Rhodopsin Bos taurus - PubChem 132473035 - 2.87 2018-04-04 10.1073/pnas.1718084115

A 2D representation of the interactions of DNZ in 6FK8
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:E122 R:R:W126 4.36 2 Yes Yes 6 5 1 2
R:R:C167 R:R:E122 12.15 2 No Yes 5 6 2 1
R:R:E122 R:R:H211 14.77 2 Yes Yes 6 6 1 2
R:R:E122 W:W:?3 13.54 2 Yes Yes 6 0 1 0
R:R:L125 R:R:W126 4.56 0 No Yes 7 5 1 2
R:R:L125 W:W:?3 5.44 0 No Yes 7 0 1 0
R:R:H211 R:R:W126 9.52 2 Yes Yes 6 5 2 2
R:R:C167 R:R:M207 6.48 2 No Yes 5 5 2 1
R:R:C167 R:R:H211 7.37 2 No Yes 5 6 2 2
R:R:Y191 R:R:Y192 14.89 2 No No 6 5 1 2
R:R:M288 R:R:Y191 10.78 2 Yes No 4 6 1 1
R:R:Y191 W:W:?3 5.53 2 No Yes 6 0 1 0
R:R:F203 R:R:M207 7.46 2 Yes Yes 6 5 2 1
R:R:H211 R:R:M207 7.88 2 Yes Yes 6 5 2 1
R:R:M207 W:W:?3 6.67 2 Yes Yes 5 0 1 0
R:R:F208 R:R:F212 8.57 0 No No 5 8 2 1
R:R:F212 R:R:W265 27.06 0 No Yes 8 8 1 2
R:R:F212 W:W:?3 11.48 0 No Yes 8 0 1 0
R:R:C264 W:W:?3 4.99 0 No Yes 8 0 1 0
R:R:P291 R:R:Y268 15.3 0 No Yes 6 6 2 1
R:R:A295 R:R:Y268 4 0 No Yes 8 6 2 1
R:R:Y268 W:W:?3 15.66 0 Yes Yes 6 0 1 0
R:R:M288 R:R:V271 9.13 2 Yes No 4 5 1 2
R:R:P291 R:R:V271 5.3 0 No No 6 5 2 2
R:R:M288 W:W:?3 6.67 2 Yes Yes 4 0 1 0
R:R:A272 W:W:?3 3.71 0 No Yes 5 0 1 0
R:R:I275 R:R:M288 2.92 0 No Yes 4 4 2 1
R:R:V204 W:W:?3 2.34 0 No Yes 4 0 1 0
R:R:A292 R:R:Y268 1.33 0 No Yes 5 6 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.60
Average Nodes In Shell23.00
Average Hubs In Shell9.00
Average Links In Shell29.00
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.60
Average Nodes In Shell23.00
Average Hubs In Shell9.00
Average Links In Shell29.00
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 🔍)