CodeDO5
Name(2~{R},3~{R})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Synonyms
Identifier(2~{R},3~{R})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
FormulaC21 H22 Cl N O4
Molecular Weight387.857
SMILESC[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O
PubChem132473034
Formal Charge0
Total Atoms49
Total Chiral Atoms2
Total Bonds52
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
6FK7 A Sensory Opsins Rhodopsin Bos taurus - PubChem 132473034 - 2.62 2018-04-04 10.1073/pnas.1718084115

A 2D representation of the interactions of DO5 in 6FK7
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 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:?8 9.14 1 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 6.68 0 No Yes 7 0 1 0
R:R:H211 R:R:W126 8.46 1 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 6.48 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 18.13 0 No No 4 6 2 1
R:R:F203 R:R:I189 6.28 1 Yes No 6 4 2 2
R:R:M207 R:R:Y191 5.99 1 Yes No 5 6 1 1
R:R:Y191 W:W:?8 9.7 1 No Yes 6 0 1 0
R:R:F203 R:R:Y206 6.19 1 Yes Yes 6 4 2 2
R:R:F203 R:R:M207 6.22 1 Yes Yes 6 5 2 1
R:R:M207 R:R:Y206 4.79 1 Yes Yes 5 4 1 2
R:R:H211 R:R:Y206 11.98 1 Yes Yes 6 4 2 2
R:R:H211 R:R:M207 9.19 1 Yes Yes 6 5 2 1
R:R:M207 W:W:?8 5.85 1 Yes Yes 5 0 1 0
R:R:F208 R:R:F212 4.29 1 Yes No 5 8 1 1
R:R:F208 R:R:I213 8.79 1 Yes No 5 4 1 2
R:R:F208 W:W:?8 12.6 1 Yes Yes 5 0 1 0
R:R:F212 R:R:W265 27.06 1 No Yes 8 8 1 2
R:R:F212 W:W:?8 10.08 1 No Yes 8 0 1 0
R:R:C264 W:W:?8 4.38 0 No 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 16.97 0 Yes Yes 6 0 1 0
R:R:M288 R:R:V271 6.09 0 No No 4 5 1 2
R:R:P291 R:R:V271 7.07 0 Yes No 6 5 2 2
R:R:F287 R:R:M288 4.98 0 No No 4 4 2 1
R:R:M288 W:W:?8 7.8 0 No Yes 4 0 1 0
R:R:A272 W:W:?8 2.17 0 No Yes 5 0 1 0
R:R:V204 W:W:?8 2.05 0 No Yes 4 0 1 0
R:R:A292 R:R:Y268 1.33 0 No Yes 5 6 2 1
R:R:F208 R:R:V209 1.31 1 Yes No 5 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.95
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell33.00
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 Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.95
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)