CodeDL2
Name5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one
Synonyms
Identifier5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one
FormulaC18 H17 Cl N2 O4
Molecular Weight360.792
SMILESc1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl
PubChem137349183
Formal Charge0
Total Atoms42
Total Chiral Atoms0
Total Bonds45
Total Aromatic Bonds6
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
6FKD A Sensory Opsins Rhodopsin Bos taurus - PubChem 137349183 - 2.49 2018-04-04 10.1073/pnas.1718084115

A 2D representation of the interactions of DL2 in 6FKD
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:L125 3.98 1 Yes No 6 7 2 1
R:R:C167 R:R:E122 10.64 1 No Yes 5 6 2 2
R:R:E122 R:R:H211 13.54 1 Yes Yes 6 6 2 2
R:R:L125 R:R:P215 4.93 0 No Yes 7 9 1 2
R:R:L125 W:W:?8 11.02 0 No Yes 7 0 1 0
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 15.71 1 Yes Yes 4 6 2 1
R:R:F203 R:R:I189 5.02 1 Yes Yes 6 4 2 2
R:R:Y191 R:R:Y192 3.97 1 Yes Yes 6 5 1 2
R:R:M207 R:R:Y191 3.59 1 Yes Yes 5 6 1 1
R:R:M288 R:R:Y191 3.59 1 Yes Yes 4 6 1 1
R:R:Y191 W:W:?8 9.34 1 Yes Yes 6 0 1 0
R:R:M288 R:R:Y192 4.79 1 Yes Yes 4 5 1 2
R:R:F203 R:R:M207 6.22 1 Yes Yes 6 5 2 1
R:R:H211 R:R:M207 7.88 1 Yes Yes 6 5 2 1
R:R:M207 W:W:?8 5.63 1 Yes Yes 5 0 1 0
R:R:F208 R:R:F212 5.36 1 Yes Yes 5 8 1 1
R:R:F208 R:R:I213 7.54 1 Yes No 5 4 1 2
R:R:F208 W:W:?8 10.51 1 Yes Yes 5 0 1 0
R:R:F212 R:R:W265 32.07 1 Yes Yes 8 8 1 1
R:R:F212 R:R:Y268 5.16 1 Yes Yes 8 6 1 1
R:R:F212 W:W:?8 12.93 1 Yes Yes 8 0 1 0
R:R:F261 R:R:L216 3.65 1 Yes No 9 7 1 2
R:R:L216 R:R:W265 22.78 1 No Yes 7 8 2 1
R:R:F261 R:R:I219 7.54 1 Yes No 9 8 1 2
R:R:F261 R:R:W265 6.01 1 Yes Yes 9 8 1 1
R:R:F261 W:W:?8 4.04 1 Yes Yes 9 0 1 0
R:R:C264 W:W:?8 4.21 0 No Yes 8 0 1 0
R:R:L266 R:R:W265 3.42 0 No Yes 6 8 2 1
R:R:A269 R:R:W265 3.89 0 No Yes 7 8 2 1
R:R:W265 W:W:?8 6.05 1 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 16.34 1 Yes Yes 6 0 1 0
R:R:M288 R:R:V271 6.09 1 Yes No 4 5 1 2
R:R:P291 R:R:V271 5.3 0 Yes No 6 5 2 2
R:R:A272 W:W:?8 3.14 0 No Yes 5 0 1 0
R:R:M288 W:W:?8 5.63 1 Yes Yes 4 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 1 Yes No 5 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.08
Average Nodes In Shell30.00
Average Hubs In Shell16.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell42.00
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 Hub8.00
Average Interaction Strength8.08
Average Nodes In Shell30.00
Average Hubs In Shell16.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell42.00

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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 🔍)