CodeXRQ
NameVU29
SynonymsN-(1,3-Diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide; ~{N}-(2,5-diphenylpyrazol-3-yl)-4-nitro-benzamide
Identifier
FormulaC22 H16 N4 O3
Molecular Weight384.387
SMILES
PubChem11610682
Formal Charge0
Total Atoms45
Total Chiral Atoms0
Total Bonds48
Total Aromatic Bonds23
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
8X0F C Aminoacid Metabotropic Glutamate mGlu5; mGlu5 Homo Sapiens Quisqualate VU0424465 - 3.3 2024-11-06 doi.org/10.1038/s41467-024-55439-9

A 2D representation of the interactions of XRQ in 8X0F
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:G624 R:R:S658 3.71 0 No No 8 6 2 1
R:R:T632 R:R:V806 7.93 0 No No 7 8 2 1
R:R:P655 R:R:S654 3.56 0 Yes No 8 7 1 2
R:R:N747 R:R:P655 11.4 0 No Yes 7 8 2 1
R:R:P655 W:W:?1 6.54 0 Yes Yes 8 0 1 0
R:R:S658 W:W:?1 3.99 0 No Yes 6 0 1 0
R:R:L750 R:R:Y659 5.86 0 No Yes 9 7 2 1
R:R:I751 R:R:Y659 9.67 0 No Yes 8 7 2 1
R:R:C754 R:R:Y659 10.75 4 No Yes 8 7 2 1
R:R:M778 R:R:Y659 10.78 4 Yes Yes 9 7 2 1
R:R:Y659 W:W:?1 4.67 4 Yes Yes 7 0 1 0
R:R:V740 R:R:Y792 5.05 0 No Yes 8 8 2 1
R:R:L744 R:R:W785 4.56 4 Yes Yes 8 8 1 1
R:R:L744 R:R:V789 2.98 4 Yes No 8 7 1 2
R:R:L744 W:W:?1 16.54 4 Yes Yes 8 0 1 0
R:R:G748 R:R:W785 5.63 0 No Yes 5 8 2 1
R:R:I751 R:R:W785 7.05 0 No Yes 8 8 2 1
R:R:C754 R:R:M778 3.24 4 No Yes 8 9 2 2
R:R:L813 R:R:T781 2.95 4 Yes No 7 9 1 1
R:R:T781 W:W:?1 3.91 4 No Yes 9 0 1 0
R:R:I784 W:W:?1 4.74 0 No Yes 8 0 1 0
R:R:L786 R:R:W785 5.69 0 No Yes 6 8 2 1
R:R:W785 W:W:?1 15.87 4 Yes Yes 8 0 1 0
R:R:F788 R:R:I791 3.77 4 Yes Yes 9 7 1 2
R:R:F788 R:R:M802 4.98 4 Yes No 9 8 1 1
R:R:F788 R:R:S805 15.85 4 Yes No 9 8 1 2
R:R:F788 W:W:?1 16.17 4 Yes Yes 9 0 1 0
R:R:K798 R:R:Y792 16.72 0 No Yes 6 8 2 1
R:R:M802 R:R:Y792 4.79 4 No Yes 8 8 1 1
R:R:Y792 W:W:?1 3.11 4 Yes Yes 8 0 1 0
R:R:M802 W:W:?1 11.26 4 No Yes 8 0 1 0
R:R:S809 R:R:V806 3.23 4 No No 9 8 1 1
R:R:V806 W:W:?1 4.94 4 No Yes 8 0 1 0
R:R:S809 W:W:?1 14.95 4 No Yes 9 0 1 0
R:R:L813 R:R:V812 2.98 4 Yes No 7 7 1 2
R:R:C816 R:R:L813 6.35 4 Yes Yes 5 7 2 1
R:R:L813 W:W:?1 4.59 4 Yes Yes 7 0 1 0
R:R:I784 R:R:L808 2.85 0 No No 8 6 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 Yes 5 8 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.56
Average Nodes In Shell34.00
Average Hubs In Shell11.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell36.00
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 Strength8.56
Average Nodes In Shell34.00
Average Hubs In Shell11.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell36.00

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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 🔍)