Code2YB
NameFasiglifam
SynonymsFasiglifam
Identifier2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid
FormulaC29 H32 O7 S
Molecular Weight524.625
SMILESCc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C
PubChem24857286
Formal Charge0
Total Atoms69
Total Chiral Atoms1
Total Bonds72
Total Aromatic Bonds18
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4PHU A Lipid Free fatty acid FFA1 (GPR40) Homo sapiens - Fasiglifam - 2.33 2014-07-16 10.1038/nature13494

A 2D representation of the interactions of 2YB in 4PHU
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 Yes 9 7 2 1
R:R:F142 R:R:P80 5.78 1 Yes Yes 4 7 1 1
R:R:L158 R:R:P80 6.57 1 No Yes 1 7 1 1
R:R:P80 W:W:?1 3.49 1 Yes Yes 7 0 1 0
R:R:A83 R:R:L171 4.73 0 No No 6 5 1 2
R:R:A83 W:W:?1 3.35 0 No Yes 6 0 1 0
R:R:V84 W:W:?1 9.5 0 No Yes 6 0 1 0
R:R:F87 R:R:H86 11.31 1 No Yes 6 6 1 2
R:R:F87 R:R:Y240 6.19 1 No Yes 6 8 1 1
R:R:F87 W:W:?1 14.67 1 No Yes 6 0 1 0
R:R:L90 R:R:Y240 7.03 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 15.24 0 No Yes 6 8 2 1
R:R:S187 R:R:Y91 3.82 1 No Yes 5 8 2 1
R:R:Y240 R:R:Y91 8.94 1 Yes Yes 8 8 1 1
R:R:N244 R:R:Y91 4.65 1 Yes Yes 7 8 2 1
R:R:Y91 W:W:?1 5.81 1 Yes Yes 8 0 1 0
R:R:L138 W:W:?1 17.65 1 No Yes 6 0 1 0
R:R:G139 W:W:?1 9.69 0 No Yes 4 0 1 0
R:R:A146 R:R:F142 5.55 0 No Yes 3 4 2 1
R:R:F142 R:R:L158 8.53 1 Yes No 4 1 1 1
R:R:F142 W:W:?1 19.84 1 Yes Yes 4 0 1 0
R:R:A146 R:R:W174 3.89 0 No Yes 3 4 2 1
R:R:P147 R:R:W174 4.05 0 No Yes 3 4 2 1
R:R:L158 W:W:?1 5.88 1 No Yes 1 0 1 0
R:R:E172 R:R:R258 11.63 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 6.18 0 No Yes 1 4 2 1
R:R:A179 R:R:W174 7.78 0 No Yes 4 4 2 1
R:R:W174 W:W:?1 9.68 0 Yes Yes 4 0 1 0
R:R:A179 R:R:R183 5.53 0 No Yes 4 6 2 1
R:R:N244 R:R:R183 13.26 1 Yes Yes 7 6 2 1
R:R:R183 R:R:R258 18.13 1 Yes Yes 6 7 1 1
R:R:R183 W:W:?1 12.05 1 Yes Yes 6 0 1 0
R:R:N241 R:R:S187 8.94 0 No No 9 5 2 2
R:R:N244 R:R:S187 7.45 1 Yes No 7 5 2 2
R:R:N241 R:R:Y240 3.49 0 No Yes 9 8 2 1
R:R:N244 R:R:Y240 16.28 1 Yes Yes 7 8 2 1
R:R:R258 R:R:Y240 8.23 1 Yes Yes 7 8 1 1
R:R:L262 R:R:Y240 5.86 1 No Yes 5 8 2 1
R:R:Y240 W:W:?1 6.64 1 Yes Yes 8 0 1 0
R:R:L262 R:R:R258 3.64 1 No Yes 5 7 2 1
R:R:R258 W:W:?1 5.16 1 Yes Yes 7 0 1 0
R:R:F142 R:R:G143 3.01 1 Yes No 4 3 1 2
R:R:F142 R:R:G159 3.01 1 Yes No 4 4 1 2
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:D175 R:R:W174 1.12 0 No Yes 6 4 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.49
Average Nodes In Shell33.00
Average Hubs In Shell11.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell45.00
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
8EJC A Lipid Free fatty acid FFA1 (GPR40) Homo sapiens TAK-875 - chim(NtGi1L-Gs-CtGq)/Beta1/Gamma2 3 2023-05-24 10.1073/pnas.2219569120

A 2D representation of the interactions of 2YB in 8EJC
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:L158 R:R:P80 4.93 5 Yes No 1 7 1 1
L:L:?1 R:R:P80 5.82 5 Yes No 0 7 0 1
L:L:?1 R:R:V84 7.39 5 Yes No 0 6 0 1
R:R:F87 R:R:H86 10.18 5 No Yes 6 6 1 2
R:R:H86 R:R:L262 3.86 0 Yes Yes 6 5 2 2
R:R:F87 R:R:Y240 6.19 5 No Yes 6 8 1 1
L:L:?1 R:R:F87 14.67 5 Yes No 0 6 0 1
R:R:L186 R:R:Y91 8.21 0 No No 6 8 2 2
R:R:Y240 R:R:Y91 2.98 5 Yes No 8 8 1 2
L:L:?1 R:R:L138 16.67 5 Yes No 0 6 0 1
R:R:L186 R:R:V141 4.47 0 No No 6 5 2 1
L:L:?1 R:R:V141 4.22 5 Yes No 0 5 0 1
R:R:E145 R:R:F142 7 5 No No 4 4 2 1
R:R:F142 R:R:G159 3.01 5 No No 4 4 1 2
L:L:?1 R:R:F142 23.29 5 Yes No 0 4 0 1
R:R:E145 R:R:G159 4.91 5 No No 4 4 2 2
R:R:E145 R:R:W174 17.45 5 No Yes 4 4 2 2
R:R:L158 R:R:S157 3 5 Yes No 1 2 1 2
L:L:?1 R:R:L158 6.86 5 Yes Yes 0 1 0 1
R:R:L171 R:R:W174 6.83 0 No Yes 5 4 1 2
L:L:?1 R:R:L171 3.92 5 Yes No 0 5 0 1
R:R:A179 R:R:W174 10.37 5 No Yes 4 4 2 2
R:R:R183 R:R:W174 3 5 Yes Yes 6 4 1 2
R:R:A179 R:R:R183 2.77 5 No Yes 4 6 2 1
R:R:N244 R:R:R183 13.26 0 No Yes 7 6 2 1
R:R:R183 R:R:R258 15.99 5 Yes No 6 7 1 2
L:L:?1 R:R:R183 7.74 5 Yes Yes 0 6 0 1
R:R:R258 R:R:Y240 7.2 5 No Yes 7 8 2 1
R:R:G261 R:R:Y240 2.9 0 Yes Yes 6 8 2 1
R:R:L262 R:R:Y240 4.69 5 Yes Yes 5 8 2 1
L:L:?1 R:R:Y240 3.32 5 Yes Yes 0 8 0 1
R:R:L262 R:R:R258 4.86 5 Yes No 5 7 2 2
L:L:?1 R:R:A83 2.23 5 Yes No 0 6 0 1
R:R:G139 R:R:L138 1.71 0 No No 4 6 2 1
R:R:A182 R:R:V141 1.7 0 No No 4 5 2 1
R:R:A146 R:R:L158 1.58 0 No Yes 3 1 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.74
Average Nodes In Shell27.00
Average Hubs In Shell8.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell29.00
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
8EJK A Lipid Free fatty acid FFA1 (GPR40) Homo sapiens TAK-875 - chim(NtGi1L-Gs-CtGq)/Beta1/Gamma2 3.4 2023-05-24 10.1073/pnas.2219569120

A 2D representation of the interactions of 2YB in 8EJK
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:L158 R:R:P80 3.28 4 No No 1 7 1 2
L:L:?1 R:R:A83 3.35 4 Yes No 0 6 0 1
L:L:?1 R:R:V84 5.28 4 Yes No 0 6 0 1
R:R:F87 R:R:H86 9.05 0 No Yes 6 6 1 2
R:R:F87 R:R:Y240 3.09 0 No Yes 6 8 1 2
L:L:?1 R:R:F87 8.63 4 Yes No 0 6 0 1
R:R:L90 R:R:Y91 5.86 4 No Yes 7 8 2 1
R:R:L90 R:R:Y240 4.69 4 No Yes 7 8 2 2
R:R:L186 R:R:Y91 4.69 4 No Yes 6 8 1 1
R:R:L190 R:R:Y91 8.21 0 No Yes 6 8 2 1
R:R:Y240 R:R:Y91 10.92 4 Yes Yes 8 8 2 1
L:L:?1 R:R:Y91 4.15 4 Yes Yes 0 8 0 1
L:L:?1 R:R:L138 9.8 4 Yes No 0 6 0 1
L:L:?1 R:R:G139 3.63 4 Yes No 0 4 0 1
R:R:F142 R:R:G143 4.52 4 No No 4 3 1 2
R:R:F142 R:R:L158 3.65 4 No No 4 1 1 1
L:L:?1 R:R:F142 31.92 4 Yes No 0 4 0 1
L:L:?1 R:R:L158 7.84 4 Yes No 0 1 0 1
L:L:?1 R:R:L171 2.94 4 Yes No 0 5 0 1
R:R:N244 R:R:R183 7.23 4 Yes No 7 6 2 1
R:R:R183 R:R:R258 18.13 4 No No 6 7 1 2
L:L:?1 R:R:R183 7.74 4 Yes No 0 6 0 1
L:L:?1 R:R:L186 2.94 4 Yes No 0 6 0 1
R:R:N244 R:R:Y240 18.61 4 Yes Yes 7 8 2 2
R:R:N244 R:R:R258 3.62 4 Yes No 7 7 2 2
R:R:L171 R:R:W174 2.28 0 No Yes 5 4 1 2
R:R:L186 R:R:V141 1.49 4 No No 6 5 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub1.00
Average Interaction Strength8.02
Average Nodes In Shell22.00
Average Hubs In Shell6.00
Average Links In Shell27.00
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 Links11.67
Average Number Of Links With An Hub3.67
Average Interaction Strength8.75
Average Nodes In Shell27.33
Average Hubs In Shell8.33
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell32.00

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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 🔍)