CodeDOK
Name(2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Synonyms
Identifier(2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
FormulaC22 H24 Cl N O3
Molecular Weight385.884
SMILESCC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3
PubChem132473033
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
6FK6 A Sensory Opsins Rhodopsin Bos taurus - PubChem 132473033 - 2.36 2018-04-04 10.1073/pnas.1718084115

A 2D representation of the interactions of DOK in 6FK6
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 5.45 1 Yes Yes 6 5 1 2
R:R:C167 R:R:E122 12.15 1 No Yes 5 6 2 1
R:R:E122 R:R:H211 13.54 1 Yes Yes 6 6 1 2
R:R:E122 W:W:?7 9.98 1 Yes Yes 6 0 1 0
R:R:L125 R:R:P215 8.21 0 No No 7 9 1 2
R:R:L125 W:W:?7 4.74 0 No Yes 7 0 1 0
R:R:H211 R:R:W126 5.29 1 Yes Yes 6 5 2 2
R:R:P215 R:R:W126 8.11 0 No Yes 9 5 2 2
R:R:C167 R:R:M207 4.86 1 No Yes 5 5 2 1
R:R:C167 R:R:H211 7.37 1 No Yes 5 6 2 2
R:R:I189 R:R:Y191 16.92 1 Yes Yes 4 6 2 1
R:R:F203 R:R:I189 5.02 1 Yes Yes 6 4 2 2
R:R:V204 R:R:Y191 3.79 0 No Yes 4 6 2 1
R:R:M207 R:R:Y191 7.18 1 Yes Yes 5 6 1 1
R:R:Y191 W:W:?7 12.85 1 Yes Yes 6 0 1 0
R:R:F203 R:R:M207 6.22 1 Yes Yes 6 5 2 1
R:R:H211 R:R:M207 9.19 1 Yes Yes 6 5 2 1
R:R:M207 W:W:?7 4.84 1 Yes Yes 5 0 1 0
R:R:F208 R:R:F212 4.29 1 No Yes 5 8 1 1
R:R:F208 R:R:I213 11.3 1 No No 5 4 1 2
R:R:F208 W:W:?7 11.68 1 No Yes 5 0 1 0
R:R:F212 R:R:W265 31.07 1 Yes Yes 8 8 1 2
R:R:F212 R:R:Y268 4.13 1 Yes Yes 8 6 1 1
R:R:F212 W:W:?7 15.02 1 Yes Yes 8 0 1 0
R:R:P291 R:R:Y268 11.13 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 17.66 1 Yes Yes 6 0 1 0
R:R:A272 W:W:?7 2.16 0 No Yes 5 0 1 0
R:R:A292 R:R:Y268 1.33 0 No Yes 5 6 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.87
Average Nodes In Shell21.00
Average Hubs In Shell12.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell27.00
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 Links8.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.87
Average Nodes In Shell21.00
Average Hubs In Shell12.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell27.00

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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 🔍)