CodeNIT
Name4-NITROANILINE
SynonymsPARANITROANILINE
Identifier
FormulaC6 H6 N2 O2
Molecular Weight138.124
SMILES
PubChem7475
Formal Charge0
Total Atoms16
Total Chiral Atoms0
Total Bonds16
Total Aromatic Bonds6
Networks2
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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
8XIQ A Peptide Somatostatin SST3 Homo Sapiens L796778 - chim(NtGi1-Gs-CtGi1)/Beta1/Gamma2 2.71 2024-07-03 doi.org/10.1073/pnas.2400298121

A 2D representation of the interactions of NIT in 8XIQ
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
L:L:?1 L:L:?2 28.91 3 Yes Yes 0 0 0 1
L:L:?1 L:L:?4 8.1 3 Yes Yes 0 0 0 1
L:L:?1 R:R:F99 4.64 3 Yes Yes 0 5 0 1
L:L:?1 R:R:L100 18.47 3 Yes No 0 7 0 1
L:L:?1 R:R:Q103 8.88 3 Yes No 0 5 0 1
L:L:?1 R:R:V119 8.52 3 Yes No 0 5 0 1
L:L:?1 R:R:M120 14.82 3 Yes No 0 4 0 1
L:L:?1 R:R:D123 6.47 3 Yes Yes 0 6 0 1
L:L:?2 L:L:?3 26.76 3 Yes Yes 0 0 1 2
L:L:?2 L:L:?4 25.55 3 Yes Yes 0 0 1 1
L:L:?2 R:R:D123 5.25 3 Yes Yes 0 6 1 1
L:L:?2 R:R:G124 6.61 3 Yes No 0 4 1 2
L:L:?2 R:R:F128 4.71 3 Yes Yes 0 6 1 2
L:L:?2 R:R:V179 3.84 3 Yes No 0 5 1 2
L:L:?2 R:R:M193 5.47 3 Yes Yes 0 4 1 2
L:L:?2 R:R:F206 17.27 3 Yes Yes 0 5 1 2
L:L:?3 L:L:?4 19.92 3 Yes Yes 0 0 2 1
L:L:?3 R:R:M193 3.98 3 Yes Yes 0 4 2 2
L:L:?3 R:R:F206 3.43 3 Yes Yes 0 5 2 2
L:L:?3 R:R:F273 4.57 3 Yes Yes 0 6 2 2
L:L:?4 R:R:D123 6.94 3 Yes Yes 0 6 1 1
L:L:?4 R:R:Q127 4.09 3 Yes No 0 7 1 2
L:L:?4 R:R:F273 3.74 3 Yes Yes 0 6 1 2
L:L:?4 R:R:Y295 3.6 3 Yes No 0 4 1 2
L:L:?4 R:R:V299 13.72 3 Yes No 0 5 1 2
L:L:?4 R:R:Y303 8.4 3 Yes Yes 0 6 1 2
R:R:F99 R:R:W109 5.01 3 Yes Yes 5 8 1 2
R:R:F99 R:R:V119 10.49 3 Yes No 5 5 1 1
R:R:Q103 R:R:W109 7.67 3 No Yes 5 8 1 2
R:R:C191 R:R:Q103 9.16 3 No No 9 5 2 1
R:R:C116 R:R:W109 3.92 3 No Yes 9 8 2 2
R:R:C191 R:R:W109 11.75 3 No Yes 9 8 2 2
R:R:M115 R:R:V119 3.04 0 No No 5 5 2 1
R:R:C116 R:R:M120 4.86 3 No No 9 4 2 1
R:R:C116 R:R:C191 5.46 3 No No 9 9 2 2
R:R:M120 R:R:R117 3.72 0 No No 4 6 1 2
R:R:D123 R:R:Y303 4.6 3 Yes Yes 6 6 1 2
R:R:F128 R:R:Q127 3.51 0 Yes No 6 7 2 2
R:R:F99 R:R:G96 3.01 3 Yes No 5 6 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.35
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell34.00
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 Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.35
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)