CodeDLB
Name3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid
Synonyms
Identifier3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid
FormulaC25 H28 Cl N O5
Molecular Weight457.947
SMILESCC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O
PubChem132473039
Formal Charge0
Total Atoms60
Total Chiral Atoms1
Total Bonds63
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
6FKC A Sensory Opsins Rhodopsin Bos taurus - PubChem 132473039 - 2.46 2018-04-04 10.1073/pnas.1718084115

A 2D representation of the interactions of DLB in 6FKC
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 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:?3 10.82 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:?3 4.71 0 No Yes 7 0 1 0
R:R:H211 R:R:W126 8.46 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 14.51 0 No No 4 6 2 1
R:R:F203 R:R:I189 5.02 0 Yes No 6 4 2 2
R:R:V204 R:R:Y191 5.05 2 No No 4 6 1 1
R:R:Y191 W:W:?3 15.16 2 No Yes 6 0 1 0
R:R:F203 R:R:M207 6.22 0 Yes Yes 6 5 2 1
R:R:V204 W:W:?3 6.08 2 No Yes 4 0 1 0
R:R:H211 R:R:M207 6.57 2 Yes Yes 6 5 2 1
R:R:M207 W:W:?3 5.77 2 Yes Yes 5 0 1 0
R:R:F208 R:R:F212 6.43 2 Yes Yes 5 8 1 1
R:R:F208 R:R:I213 8.79 2 Yes No 5 4 1 2
R:R:F208 W:W:?3 6.63 2 Yes Yes 5 0 1 0
R:R:F212 R:R:W265 28.06 2 Yes Yes 8 8 1 2
R:R:F212 R:R:Y268 4.13 2 Yes Yes 8 6 1 1
R:R:F212 W:W:?3 13.26 2 Yes Yes 8 0 1 0
R:R:P291 R:R:Y268 12.52 0 Yes Yes 6 6 2 1
R:R:Y268 W:W:?3 16.75 2 Yes Yes 6 0 1 0
R:R:M288 R:R:V271 9.13 0 No No 4 5 1 2
R:R:P291 R:R:V271 5.3 0 Yes No 6 5 2 2
R:R:I275 W:W:?3 7.77 0 No Yes 4 0 1 0
R:R:F287 R:R:M288 3.73 0 Yes No 4 4 2 1
R:R:M288 W:W:?3 5.77 0 No Yes 4 0 1 0
R:R:A272 W:W:?3 3.22 0 No Yes 5 0 1 0
R:R:A295 R:R:Y268 2.67 0 No Yes 8 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 Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.72
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell31.00
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 Hub5.00
Average Interaction Strength8.72
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell31.00

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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 🔍)