Code4YI
Name2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
Synonyms
Identifier2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
FormulaC19 H15 Cl N4 O2
Molecular Weight366.801
SMILESCOc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3
PubChem
Formal Charge0
Total Atoms41
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds18
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
7P2L C Aminoacid Metabotropic glutamate mGlu5 Homo sapiens - 4YI - 2.54 2021-09-08 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 🔍)
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

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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 🔍)