CodeCW3
Name3-nitro-4-(propylamino)benzoic acid
Synonyms68740-31-8
Identifier
FormulaC10 H12 N2 O4
Molecular Weight224.213
SMILES
PubChem11715556
Formal Charge0
Total Atoms28
Total Chiral Atoms0
Total Bonds28
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
8JEI A Alicarboxylic acid Hydroxycarboxylic Acid HCAR3 Homo Sapiens 3-nitro-4-(propylamino)benzoic acid - Gi1/Beta1/Gamma2 2.73 2024-11-20 doi.org/10.2210/pdb8JEI/pdb

A 2D representation of the interactions of CW3 in 8JEI
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 R:R:V83 6.85 3 Yes Yes 0 6 0 1
L:L:?1 R:R:Y86 10.78 3 Yes Yes 0 5 0 1
L:L:?1 R:R:Y87 8.09 3 Yes Yes 0 5 0 1
L:L:?1 R:R:L104 6.36 3 Yes No 0 5 0 1
L:L:?1 R:R:F107 14.94 3 Yes Yes 0 6 0 1
L:L:?1 R:R:R111 8.38 3 Yes Yes 0 7 0 1
L:L:?1 R:R:I178 9.84 3 Yes No 0 3 0 1
L:L:?1 R:R:S179 9.21 3 Yes No 0 5 0 1
L:L:?1 R:R:F180 8.4 3 Yes Yes 0 4 0 1
L:L:?1 R:R:Y284 8.98 3 Yes No 0 7 0 1
R:R:L30 R:R:L34 6.92 0 Yes No 6 8 2 2
R:R:L30 R:R:Y87 9.38 0 Yes Yes 6 5 2 1
R:R:L34 R:R:V83 2.98 0 No Yes 8 6 2 1
R:R:F107 R:R:L76 3.65 3 Yes Yes 6 6 1 2
R:R:L76 R:R:Y284 3.52 3 Yes No 6 7 2 1
R:R:V83 R:R:Y87 8.83 3 Yes Yes 6 5 1 1
R:R:F107 R:R:V83 9.18 3 Yes Yes 6 6 1 1
R:R:Y86 R:R:Y87 9.93 3 Yes Yes 5 5 1 1
R:R:S91 R:R:Y86 6.36 0 No Yes 4 5 2 1
R:R:W93 R:R:Y86 5.79 0 No Yes 9 5 2 1
R:R:L104 R:R:R101 6.07 0 No Yes 5 7 1 2
R:R:C177 R:R:L104 3.17 0 No No 9 5 2 1
R:R:F107 R:R:Y284 9.28 3 Yes No 6 7 1 1
R:R:F193 R:R:R111 4.28 3 Yes Yes 5 7 2 1
R:R:E196 R:R:R111 9.3 3 Yes Yes 6 7 2 1
R:R:F244 R:R:R111 4.28 3 Yes Yes 9 7 2 1
R:R:I178 R:R:V176 3.07 0 No No 3 1 1 2
R:R:F180 R:R:S179 6.61 3 Yes No 4 5 1 1
R:R:H189 R:R:S179 8.37 3 Yes No 5 5 2 1
R:R:F180 R:R:H189 13.58 3 Yes Yes 4 5 1 2
R:R:E190 R:R:F180 4.66 3 Yes Yes 4 4 2 1
R:R:F180 R:R:F193 9.65 3 Yes Yes 4 5 1 2
R:R:F180 R:R:F276 7.5 3 Yes Yes 4 4 1 2
R:R:E190 R:R:F193 15.16 3 Yes Yes 4 5 2 2
R:R:E196 R:R:F193 5.83 3 Yes Yes 6 5 2 2
R:R:F107 R:R:V103 2.62 3 Yes No 6 5 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.18
Average Nodes In Shell26.00
Average Hubs In Shell16.00
Average Links In Shell36.00
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 Links10.00
Average Number Of Links With An Hub5.50
Average Interaction Strength9.18
Average Nodes In Shell24.50
Average Hubs In Shell15.00
Average Links In Shell33.50
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 🔍)