CodeDN5
Name(2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Synonyms
Identifier(2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
FormulaC22 H23 Cl2 N O3
Molecular Weight420.329
SMILESCC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3
PubChem132473037
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
6FKA A Sensory Opsins Rhodopsin Bos taurus - PubChem 132473037 - 2.7 2018-04-04 10.1073/pnas.1718084115

A 2D representation of the interactions of DN5 in 6FKA
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 6.54 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 13.54 2 Yes Yes 6 6 1 2
R:R:E122 W:W:?8 6.97 2 Yes Yes 6 0 1 0
R:R:L125 R:R:P215 9.85 0 No No 7 9 1 2
R:R:L125 W:W:?8 7.28 0 No Yes 7 0 1 0
R:R:H211 R:R:W126 7.41 2 Yes Yes 6 5 2 2
R:R:P215 R:R:W126 5.4 0 No Yes 9 5 2 2
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:I189 R:R:Y191 15.71 0 No Yes 4 6 2 1
R:R:F203 R:R:I189 3.77 2 Yes No 6 4 2 2
R:R:M207 R:R:Y191 7.18 2 Yes Yes 5 6 1 1
R:R:Y191 W:W:?8 15.42 2 Yes Yes 6 0 1 0
R:R:F203 R:R:M207 6.22 2 Yes Yes 6 5 2 1
R:R:H211 R:R:M207 9.19 2 Yes Yes 6 5 2 1
R:R:M207 W:W:?8 8.37 2 Yes Yes 5 0 1 0
R:R:F208 R:R:F212 4.29 2 Yes Yes 5 8 1 1
R:R:F208 R:R:I213 10.05 2 Yes No 5 4 1 2
R:R:F208 W:W:?8 11.22 2 Yes Yes 5 0 1 0
R:R:F212 R:R:W265 29.06 2 Yes Yes 8 8 1 1
R:R:F212 R:R:Y268 4.13 2 Yes Yes 8 6 1 1
R:R:F212 W:W:?8 16.82 2 Yes Yes 8 0 1 0
R:R:F261 R:R:L216 4.87 2 No No 9 7 2 2
R:R:L216 R:R:W265 21.64 2 No Yes 7 8 2 1
R:R:F261 R:R:W265 7.02 2 No Yes 9 8 2 1
R:R:C264 W:W:?8 4.18 0 No Yes 8 0 1 0
R:R:A269 R:R:W265 3.89 0 No Yes 7 8 2 1
R:R:W265 W:W:?8 3.75 2 Yes Yes 8 0 1 0
R:R:P291 R:R:Y268 13.91 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:?8 13.88 2 Yes Yes 6 0 1 0
R:R:A272 W:W:?8 3.11 0 No Yes 5 0 1 0
R:R:V204 R:R:Y191 2.52 0 No Yes 4 6 2 1
R:R:A292 R:R:Y268 1.33 0 No Yes 5 6 2 1
R:R:F208 R:R:V209 1.31 2 Yes No 5 5 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.10
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell34.00
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 Hub7.00
Average Interaction Strength9.10
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)