Code4YI
Name2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
Synonyms
Identifier
FormulaC19 H15 Cl N4 O2
Molecular Weight366.801
SMILES
PubChem
Formal Charge0
Total Atoms41
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds18
Networks2
 missing image

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
7P2L C Aminoacid Metabotropic Glutamate mGlu5 Homo Sapiens - 4YI - 2.54 2021-09-08 doi.org/10.1016/j.celrep.2021.109648

A 2D representation of the interactions of 4YI in 7P2L
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:L627 R:R:S654 4.5 0 No Yes 5 7 2 1
R:R:G628 R:R:S654 3.71 0 No Yes 6 7 2 1
R:R:A810 R:R:Y629 5.34 0 No Yes 7 8 1 2
R:R:C631 R:R:I651 3.27 0 No No 7 7 2 2
R:R:C631 R:R:V806 3.42 0 No No 7 8 2 1
R:R:I651 R:R:L635 5.71 1 No Yes 7 7 2 2
R:R:L635 R:R:M802 5.65 1 Yes Yes 7 8 2 1
R:R:I651 R:R:M802 7.29 1 No Yes 7 8 2 1
R:R:P655 R:R:S654 5.34 1 Yes Yes 8 7 1 1
R:R:S654 W:W:?1 4.86 1 Yes 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:?1 14.18 1 Yes Yes 8 0 1 0
R:R:S658 W:W:?1 4.05 0 No Yes 6 0 1 0
R:R:I751 R:R:Y659 8.46 1 Yes Yes 8 7 2 1
R:R:T781 R:R:Y659 7.49 1 Yes Yes 9 7 2 1
R:R:W785 R:R:Y659 4.82 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:?1 3.8 1 Yes Yes 7 0 1 0
R:R:V740 R:R:Y792 3.79 0 No Yes 8 8 2 1
R:R:L744 W:W:?1 9.71 0 No Yes 8 0 1 0
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 10.57 1 Yes Yes 8 8 2 1
R:R:T781 R:R:W785 4.85 1 Yes Yes 9 8 2 1
R:R:S809 R:R:W785 7.41 1 No Yes 9 8 1 1
R:R:W785 W:W:?1 26.43 1 Yes Yes 8 0 1 0
R:R:F788 R:R:S805 14.53 0 No No 9 8 2 1
R:R:F793 R:R:Y792 9.28 1 Yes Yes 6 8 1 1
R:R:K798 R:R:Y792 15.53 0 No Yes 6 8 2 1
R:R:M802 R:R:Y792 4.79 1 Yes Yes 8 8 1 1
R:R:Y792 W:W:?1 8.86 1 Yes Yes 8 0 1 0
R:R:F793 W:W:?1 3.29 1 Yes Yes 6 0 1 0
R:R:M802 W:W:?1 8.39 1 Yes Yes 8 0 1 0
R:R:S805 W:W:?1 3.24 0 No Yes 8 0 1 0
R:R:V806 W:W:?1 12.06 0 No Yes 8 0 1 0
R:R:S809 W:W:?1 8.91 1 No Yes 9 0 1 0
R:R:A810 W:W:?1 5.1 0 No Yes 7 0 1 0
R:R:F793 R:R:V789 2.62 1 Yes No 6 7 1 2
R:R:T801 R:R:Y792 2.5 0 No Yes 8 8 2 1
R:R:F793 R:R:N737 2.42 1 Yes No 6 3 1 2
R:R:G652 R:R:P655 2.03 0 No Yes 5 8 2 1
R:R:G745 R:R:L744 1.71 0 No No 5 8 2 1
R:R:F793 R:R:V741 1.31 1 Yes No 6 6 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.68
Average Nodes In Shell32.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00
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
9HC0 C Aminoacid Metabotropic Glutamate mGlu5 Homo sapiens - 4YI - 2.33 2025-06-25 doi.org/10.1002/pro.70104

A 2D representation of the interactions of 4YI in 9HC0
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:L627 R:R:S654 4.5 0 No Yes 5 7 2 1
R:R:G628 R:R:S654 3.71 0 No Yes 6 7 2 1
R:R:A810 R:R:Y629 6.67 0 No Yes 7 8 1 2
R:R:I651 R:R:L635 4.28 1 No Yes 7 7 2 2
R:R:L635 R:R:M802 4.24 1 Yes Yes 7 8 2 1
R:R:I651 R:R:M802 5.83 1 No Yes 7 8 2 1
R:R:P655 R:R:S654 5.34 1 Yes Yes 8 7 1 1
R:R:S654 W:W:?1 4.86 1 Yes Yes 7 0 1 0
R:R:N747 R:R:P655 11.4 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:?1 12.41 1 Yes Yes 8 0 1 0
R:R:S658 W:W:?1 4.05 0 No Yes 6 0 1 0
R:R:I751 R:R:Y659 8.46 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 3.86 1 Yes Yes 8 7 1 1
R:R:Y659 W:W:?1 3.8 1 Yes Yes 7 0 1 0
R:R:L744 W:W:?1 10.46 0 No Yes 8 0 1 0
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 10.57 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:?1 29.51 1 Yes Yes 8 0 1 0
R:R:F793 R:R:Y792 10.32 1 Yes Yes 6 8 1 1
R:R:K798 R:R:Y792 15.53 0 No Yes 6 8 2 1
R:R:M802 R:R:Y792 4.79 1 Yes Yes 8 8 1 1
R:R:Y792 W:W:?1 8.86 1 Yes Yes 8 0 1 0
R:R:F793 W:W:?1 3.29 1 Yes Yes 6 0 1 0
R:R:M802 W:W:?1 8.39 1 Yes Yes 8 0 1 0
R:R:V806 W:W:?1 14.47 0 No Yes 8 0 1 0
R:R:S809 W:W:?1 9.73 1 No Yes 9 0 1 0
R:R:A810 W:W:?1 4.25 0 No Yes 7 0 1 0
R:R:F793 R:R:V789 2.62 1 Yes No 6 7 1 2
R:R:V740 R:R:Y792 2.52 0 No Yes 8 8 2 1
R:R:F793 R:R:N737 2.42 1 Yes No 6 3 1 2
R:R:G652 R:R:P655 2.03 0 No Yes 5 8 2 1
R:R:G745 R:R:L744 1.71 0 No No 5 8 2 1
R:R:F793 R:R:V741 1.31 1 Yes No 6 6 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.51
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell37.00
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 Links12.50
Average Number Of Links With An Hub7.00
Average Interaction Strength9.09
Average Nodes In Shell30.00
Average Hubs In Shell12.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell38.50

missing image


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 🔍)