CodeDNK
Name(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Synonyms
Identifier(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
FormulaC22 H25 N O3
Molecular Weight351.439
SMILESCC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3
PubChem132473036
Formal Charge0
Total Atoms51
Total Chiral Atoms1
Total Bonds54
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
6FK9 A Sensory Opsins Rhodopsin Bos taurus - PubChem 132473036 - 2.63 2018-04-04 10.1073/pnas.1718084115

A 2D representation of the interactions of DNK in 6FK9
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:C167 R:R:E122 10.64 2 No No 5 6 2 1
R:R:E122 R:R:H211 16 2 No Yes 6 6 1 2
R:R:E122 W:W:?7 10.02 2 No Yes 6 0 1 0
R:R:C167 R:R:M207 4.86 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 0 No Yes 6 5 1 2
R:R:Y191 W:W:?7 4.83 0 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:?7 7.77 2 Yes Yes 5 0 1 0
R:R:F208 R:R:F212 6.43 2 No No 5 8 1 1
R:R:F208 R:R:I213 11.3 2 No No 5 4 1 2
R:R:F208 W:W:?7 9.21 2 No Yes 5 0 1 0
R:R:F212 R:R:W265 31.07 2 No Yes 8 8 1 2
R:R:F212 W:W:?7 16.74 2 No Yes 8 0 1 0
R:R:P291 R:R:Y268 9.74 0 Yes Yes 6 6 2 1
R:R:A295 R:R:Y268 4 0 No Yes 8 6 2 1
R:R:Y268 W:W:?7 26.58 0 Yes Yes 6 0 1 0
R:R:A272 W:W:?7 3.25 0 No Yes 5 0 1 0
R:R:A292 R:R:Y268 1.33 0 No Yes 5 6 2 1
R:R:V204 R:R:Y191 1.26 0 No No 4 6 2 1
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.20
Average Nodes In Shell18.00
Average Hubs In Shell8.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell17.00
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 Links7.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.20
Average Nodes In Shell18.00
Average Hubs In Shell8.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell17.00

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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 🔍)