CodeD8B
Name2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine
Synonyms
Identifier2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine
FormulaC15 H13 N O
Molecular Weight223.27
SMILESCc1cccc(n1)C#Cc2cccc(c2)OC
PubChem5311462
Formal Charge0
Total Atoms30
Total Chiral Atoms0
Total Bonds31
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
6FFI C Aminoacid Metabotropic glutamate mGlu5 Homo sapiens - MMPEP - 2.2 2018-03-07 10.1021/acs.jmedchem.7b01722

A 2D representation of the interactions of D8B in 6FFI
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:I621 R:R:S658 3.1 0 Yes No 8 6 2 1
R:R:G628 R:R:S654 3.71 0 No No 6 7 2 1
R:R:A810 R:R:Y629 5.34 0 No Yes 7 8 1 2
R:R:P655 R:R:S654 5.34 1 Yes No 8 7 1 1
R:R:S654 W:W:?3849 3.67 1 No Yes 7 0 1 0
R:R:N747 R:R:P655 9.77 1 No Yes 7 8 2 1
R:R:P655 R:R:W785 5.4 1 Yes Yes 8 8 1 1
R:R:P655 W:W:?3849 14.03 1 Yes Yes 8 0 1 0
R:R:S658 W:W:?3849 6.41 0 No Yes 6 0 1 0
R:R:I751 R:R:Y659 12.09 1 Yes Yes 8 7 2 1
R:R:T781 R:R:Y659 6.24 1 Yes Yes 9 7 2 1
R:R:W785 R:R:Y659 7.72 1 Yes Yes 8 7 1 1
R:R:S809 R:R:Y659 3.82 1 No Yes 9 7 1 1
R:R:Y659 W:W:?3849 5.72 1 Yes Yes 7 0 1 0
R:R:L744 R:R:W785 4.56 0 No Yes 8 8 2 1
R:R:F788 R:R:L744 4.87 1 Yes No 9 8 1 2
R:R:N747 R:R:W785 4.52 1 No Yes 7 8 2 1
R:R:I751 R:R:T781 4.56 1 Yes Yes 8 9 2 2
R:R:I751 R:R:W785 11.74 1 Yes Yes 8 8 2 1
R:R:T781 R:R:W785 3.64 1 Yes Yes 9 8 2 1
R:R:S809 R:R:W785 6.18 1 No Yes 9 8 1 1
R:R:W785 W:W:?3849 21.55 1 Yes Yes 8 0 1 0
R:R:F788 R:R:Y792 14.44 1 Yes Yes 9 8 1 2
R:R:F788 R:R:M802 4.98 1 Yes Yes 9 8 1 2
R:R:F788 R:R:S805 5.28 1 Yes No 9 8 1 1
R:R:F788 W:W:?3849 14.87 1 Yes Yes 9 0 1 0
R:R:M802 R:R:Y792 7.18 1 Yes Yes 8 8 2 2
R:R:M802 R:R:V806 3.04 1 Yes No 8 8 2 1
R:R:S805 W:W:?3849 5.5 1 No Yes 8 0 1 0
R:R:V806 W:W:?3849 9.09 0 No Yes 8 0 1 0
R:R:S809 W:W:?3849 11.91 1 No Yes 9 0 1 0
R:R:A810 W:W:?3849 2.88 0 No Yes 7 0 1 0
R:R:G652 R:R:P655 2.03 0 No Yes 5 8 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.56
Average Nodes In Shell21.00
Average Hubs In Shell11.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell32.00
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 Hub4.00
Average Interaction Strength9.56
Average Nodes In Shell21.00
Average Hubs In Shell11.00
Average Links In Shell33.00
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 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)