CodeP8A
Name5-butyl-1~{H}-pyrazole-3-carboxylic acid
Synonyms
Identifier
FormulaC8 H12 N2 O2
Molecular Weight168.193
SMILES
PubChem6485181
Formal Charge0
Total Atoms24
Total Chiral Atoms0
Total Bonds24
Total Aromatic Bonds5
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
8IHH A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens LUF6283 - Gi1/Beta1/Gamma2 3.06 2023-08-30 doi.org/10.1038/s41467-023-41650-7

A 2D representation of the interactions of P8A in 8IHH
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:R22 R:R:W91 6 0 Yes Yes 3 4 2 1
R:R:I26 R:R:L30 5.71 2 No No 5 5 2 2
R:R:I26 R:R:Y87 4.84 2 No Yes 5 6 2 1
R:R:L30 R:R:Y87 11.72 2 No Yes 5 6 2 1
R:R:E37 R:R:L34 5.3 2 Yes No 7 8 2 2
R:R:L34 R:R:L80 5.54 2 No No 8 8 2 2
R:R:L34 R:R:Y284 3.52 2 No Yes 8 7 2 1
R:R:E37 R:R:L80 3.98 2 Yes No 7 8 2 2
R:R:E37 R:R:Y284 8.98 2 Yes Yes 7 7 2 1
R:R:L76 R:R:Y284 3.52 0 No Yes 7 7 2 1
R:R:C79 R:R:L107 4.76 0 No No 6 6 2 1
R:R:L80 R:R:Y284 7.03 2 No Yes 8 7 2 1
R:R:L83 R:R:Y87 7.03 2 Yes Yes 6 6 1 1
R:R:L107 R:R:L83 4.15 2 No Yes 6 6 1 1
R:R:L83 R:R:Y284 3.52 2 Yes Yes 6 7 1 1
L:L:?1 R:R:L83 3.78 2 Yes Yes 0 6 0 1
R:R:N86 R:R:W91 3.39 2 No Yes 5 4 1 1
R:R:N86 R:R:W93 9.04 2 No Yes 5 9 1 2
L:L:?1 R:R:N86 3.75 2 Yes No 0 5 0 1
L:L:?1 R:R:Y87 9.61 2 Yes Yes 0 6 0 1
R:R:F277 R:R:W91 11.02 2 No Yes 5 4 1 1
L:L:?1 R:R:W91 6.23 2 Yes Yes 0 4 0 1
L:L:?1 R:R:L104 3.78 2 Yes No 0 5 0 1
L:L:?1 R:R:L107 10.09 2 Yes No 0 6 0 1
R:R:E196 R:R:R111 6.98 0 No Yes 5 8 2 1
R:R:R111 R:R:T283 3.88 2 Yes No 8 8 1 2
R:R:R111 R:R:Y284 4.12 2 Yes Yes 8 7 1 1
L:L:?1 R:R:R111 9.96 2 Yes Yes 0 8 0 1
R:R:S178 R:R:S181 3.26 0 No No 4 4 1 2
L:L:?1 R:R:S178 5.47 2 Yes No 0 4 0 1
R:R:H189 R:R:S179 5.58 0 Yes No 5 4 2 1
L:L:?1 R:R:S179 6.84 2 Yes No 0 4 0 1
R:R:F180 R:R:H189 12.44 2 Yes Yes 3 5 1 2
R:R:E190 R:R:F180 3.5 2 No Yes 4 3 2 1
R:R:F180 R:R:F193 9.65 2 Yes No 3 6 1 2
R:R:F180 R:R:F276 7.5 2 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 3.65 2 Yes No 3 5 1 1
L:L:?1 R:R:F180 8.88 2 Yes Yes 0 3 0 1
R:R:F193 R:R:F276 4.29 2 No Yes 6 4 2 2
R:R:D273 R:R:F277 7.17 0 No No 4 5 2 1
R:R:F276 R:R:L280 6.09 2 Yes No 4 5 2 1
L:L:?1 R:R:F277 4.44 2 Yes No 0 5 0 1
L:L:?1 R:R:L280 5.05 2 Yes No 0 5 0 1
R:R:T283 R:R:Y284 4.99 2 No Yes 8 7 2 1
L:L:?1 R:R:Y284 6.41 2 Yes Yes 0 7 0 1
R:R:L104 R:R:M167 2.83 0 No No 5 3 1 2
R:R:P31 R:R:Y87 2.78 0 Yes Yes 6 6 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.48
Average Nodes In Shell33.00
Average Hubs In Shell13.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell41.00
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 Hub5.00
Average Interaction Strength6.48
Average Nodes In Shell31.50
Average Hubs In Shell12.00
Average Links In Shell43.50
Average Links Mediated by Hubs In Shell37.00

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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 🔍)