CodeMK6
NameMK-8666
SynonymsMK-8666
Identifier(2~{S},3~{S},4~{R})-8-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.0^{2,4}]deca-1(10),6,8-triene-3-carboxylic acid
FormulaC29 H31 N O6 S
Molecular Weight521.625
SMILESCc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C
PubChem73051869
Formal Charge0
Total Atoms68
Total Chiral Atoms3
Total Bonds72
Total Aromatic Bonds18
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5TZR A Lipid Free fatty acid FFA1 (GPR40) Homo sapiens - MK8666 - 2.2 2017-06-07 10.1038/nsmb.3417

A 2D representation of the interactions of MK6 in 5TZR
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:F142 R:R:P80 5.78 1 Yes No 4 7 1 1
R:R:L158 R:R:P80 6.57 1 No No 1 7 1 1
L:L:?1 R:R:P80 3.03 1 Yes No 0 7 0 1
R:R:A83 R:R:L171 4.73 1 No No 6 5 1 1
L:L:?1 R:R:A83 3.87 1 Yes No 0 6 0 1
L:L:?1 R:R:V84 8.24 1 Yes No 0 6 0 1
R:R:F87 R:R:H86 11.31 1 No Yes 6 6 1 2
R:R:F87 R:R:Y240 3.09 1 No Yes 6 8 1 1
L:L:?1 R:R:F87 20.95 1 Yes No 0 6 0 1
R:R:L90 R:R:Y240 5.86 0 No Yes 7 8 2 1
R:R:L138 R:R:Y91 3.52 1 No Yes 6 8 1 1
R:R:L186 R:R:Y91 17.58 0 No Yes 6 8 2 1
R:R:Y240 R:R:Y91 3.97 1 Yes Yes 8 8 1 1
R:R:N244 R:R:Y91 5.81 1 Yes Yes 7 8 2 1
L:L:?1 R:R:Y91 5.76 1 Yes Yes 0 8 0 1
R:R:L138 R:R:V134 2.98 1 No No 6 7 1 2
L:L:?1 R:R:L138 12.75 1 Yes No 0 6 0 1
L:L:?1 R:R:G139 7.35 1 Yes No 0 4 0 1
R:R:A146 R:R:F142 5.55 1 No Yes 3 4 2 1
R:R:F142 R:R:L158 8.53 1 Yes No 4 1 1 1
R:R:F142 R:R:G159 3.01 1 Yes No 4 4 1 2
R:R:F142 R:R:W174 3.01 1 Yes Yes 4 4 1 1
L:L:?1 R:R:F142 19.45 1 Yes Yes 0 4 0 1
R:R:A146 R:R:W174 5.19 1 No Yes 3 4 2 1
R:R:G159 R:R:P147 4.06 0 No Yes 4 3 2 2
R:R:P147 R:R:W174 4.05 0 Yes Yes 3 4 2 1
L:L:?1 R:R:L158 5.1 1 Yes No 0 1 0 1
R:R:C170 R:R:L171 3.17 1 No No 9 5 2 1
L:L:?1 R:R:L171 3.4 1 Yes No 0 5 0 1
R:R:E172 R:R:R258 12.79 1 No Yes 6 7 2 1
R:R:E172 R:R:L262 3.98 1 No No 6 5 2 2
R:R:S178 R:R:W174 7.41 0 No Yes 1 4 2 1
R:R:A179 R:R:W174 9.08 0 No Yes 4 4 2 1
L:L:?1 R:R:W174 7.7 1 Yes Yes 0 4 0 1
R:R:A179 R:R:R183 5.53 0 No Yes 4 6 2 1
R:R:R183 R:R:Y240 3.09 1 Yes Yes 6 8 1 1
R:R:N244 R:R:R183 10.85 1 Yes Yes 7 6 2 1
R:R:R183 R:R:R258 18.13 1 Yes Yes 6 7 1 1
L:L:?1 R:R:R183 11.19 1 Yes Yes 0 6 0 1
R:R:N244 R:R:Y240 12.79 1 Yes Yes 7 8 2 1
R:R:R258 R:R:Y240 9.26 1 Yes Yes 7 8 1 1
R:R:L262 R:R:Y240 7.03 1 No Yes 5 8 2 1
L:L:?1 R:R:Y240 5.04 1 Yes Yes 0 8 0 1
R:R:L262 R:R:R258 4.86 1 No Yes 5 7 2 1
L:L:?1 R:R:R258 3.73 1 Yes Yes 0 7 0 1
R:R:R258 R:R:S243 2.64 1 Yes No 7 5 1 2
R:R:V141 R:R:W174 2.45 0 No Yes 5 4 2 1
R:R:F142 R:R:G143 1.51 1 Yes No 4 3 1 2
R:R:D175 R:R:W174 1.12 0 No Yes 6 4 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.40
Average Nodes In Shell32.00
Average Hubs In Shell10.00
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell44.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5TZY A Lipid Free fatty acid FFA1 (GPR40) Homo sapiens - MK8666; PubChem 127053597 - 3.22 2017-06-07 10.1038/nsmb.3417

A 2D representation of the interactions of MK6 in 5TZY
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:C79 R:R:P80 3.77 1 Yes No 9 7 2 1
R:R:P80 W:W:?1 3.03 0 No Yes 7 0 1 0
R:R:A83 W:W:?1 3.87 0 No Yes 6 0 1 0
R:R:V84 W:W:?1 8.24 0 No Yes 6 0 1 0
R:R:F87 R:R:L90 3.65 1 Yes No 6 7 1 2
R:R:F87 R:R:Y240 4.13 1 Yes Yes 6 8 1 1
R:R:F87 R:R:R258 4.28 1 Yes Yes 6 7 1 1
R:R:F87 R:R:L262 3.65 1 Yes Yes 6 5 1 2
R:R:F87 W:W:?1 22.44 1 Yes Yes 6 0 1 0
R:R:L186 R:R:Y91 8.21 1 Yes Yes 6 8 1 1
R:R:L190 R:R:Y91 3.52 1 Yes Yes 6 8 2 1
R:R:Y240 R:R:Y91 7.94 1 Yes Yes 8 8 1 1
R:R:N241 R:R:Y91 8.14 1 Yes Yes 9 8 2 1
R:R:N244 R:R:Y91 3.49 1 Yes Yes 7 8 2 1
R:R:Y91 W:W:?1 4.32 1 Yes Yes 8 0 1 0
R:R:H137 R:R:L186 7.71 0 Yes Yes 5 6 2 1
R:R:H137 R:R:L190 11.57 0 Yes Yes 5 6 2 2
R:R:L138 R:R:L186 4.15 1 No Yes 6 6 1 1
R:R:L138 W:W:?1 11.9 1 No Yes 6 0 1 0
R:R:G139 W:W:?1 7.35 0 No Yes 4 0 1 0
R:R:F142 R:R:G159 3.01 0 Yes No 4 4 1 2
R:R:F142 W:W:?1 21.69 0 Yes Yes 4 0 1 0
R:R:L158 W:W:?1 5.95 0 No Yes 1 0 1 0
R:R:L171 W:W:?1 4.25 0 No Yes 5 0 1 0
R:R:E172 R:R:R258 8.14 1 No Yes 6 7 2 1
R:R:E172 R:R:L262 3.98 1 No Yes 6 5 2 2
R:R:N244 R:R:R183 9.64 1 Yes No 7 6 2 1
R:R:R183 R:R:R258 20.26 1 No Yes 6 7 1 1
R:R:R183 W:W:?1 10.45 1 No Yes 6 0 1 0
R:R:L186 W:W:?1 5.1 1 Yes Yes 6 0 1 0
R:R:N244 R:R:Y240 10.47 1 Yes Yes 7 8 2 1
R:R:R258 R:R:Y240 10.29 1 Yes Yes 7 8 1 1
R:R:L262 R:R:Y240 7.03 1 Yes Yes 5 8 2 1
R:R:Y240 W:W:?1 4.32 1 Yes Yes 8 0 1 0
R:R:R258 R:R:S243 3.95 1 Yes No 7 5 1 2
R:R:N244 R:R:R258 4.82 1 Yes Yes 7 7 2 1
R:R:L262 R:R:R258 9.72 1 Yes Yes 5 7 2 1
R:R:R258 W:W:?1 5.22 1 Yes Yes 7 0 1 0
L:W:?1 W:W:?1 3.13 0 No Yes 0 0 1 0
R:R:A146 R:R:F142 2.77 0 No Yes 3 4 2 1
R:R:F142 R:R:G143 1.51 0 Yes No 4 3 1 2
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.08
Average Nodes In Shell28.00
Average Hubs In Shell13.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell41.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of MK6 in 5TZY
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:P80 W:W:?1 3.03 0 No Yes 7 0 2 1
R:R:A83 W:W:?1 3.87 0 No Yes 6 0 2 1
R:R:V84 W:W:?1 8.24 0 No Yes 6 0 2 1
R:R:F87 R:R:Y240 4.13 1 Yes Yes 6 8 2 2
R:R:F87 R:R:R258 4.28 1 Yes Yes 6 7 2 2
R:R:F87 W:W:?1 22.44 1 Yes Yes 6 0 2 1
R:R:L186 R:R:Y91 8.21 1 Yes Yes 6 8 2 2
R:R:Y240 R:R:Y91 7.94 1 Yes Yes 8 8 2 2
R:R:Y91 W:W:?1 4.32 1 Yes Yes 8 0 2 1
R:R:L138 R:R:L186 4.15 1 No Yes 6 6 2 2
R:R:L138 W:W:?1 11.9 1 No Yes 6 0 2 1
R:R:G139 W:W:?1 7.35 0 No Yes 4 0 2 1
R:R:F142 W:W:?1 21.69 0 Yes Yes 4 0 2 1
R:R:L158 W:W:?1 5.95 0 No Yes 1 0 2 1
R:R:L171 W:W:?1 4.25 0 No Yes 5 0 2 1
R:R:R183 R:R:R258 20.26 1 No Yes 6 7 2 2
R:R:R183 W:W:?1 10.45 1 No Yes 6 0 2 1
R:R:L186 W:W:?1 5.1 1 Yes Yes 6 0 2 1
R:R:R258 R:R:Y240 10.29 1 Yes Yes 7 8 2 2
R:R:Y240 W:W:?1 4.32 1 Yes Yes 8 0 2 1
R:R:R258 W:W:?1 5.22 1 Yes Yes 7 0 2 1
L:W:?1 W:W:?1 3.13 0 No Yes 0 0 0 1
StatisticsValue
Average Number Of Links1.00
Average Number Of Links With An Hub1.00
Average Interaction Strength3.13
Average Nodes In Shell16.00
Average Hubs In Shell7.00
Average Links In Shell22.00
Average Links Mediated by Hubs In Shell22.00
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 Hub4.33
Average Interaction Strength6.54
Average Nodes In Shell25.33
Average Hubs In Shell10.00
Average Links In Shell37.33
Average Links Mediated by Hubs In Shell35.67

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)