CodeXOT
Name(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid
SynonymsMK 1903
Identifier
FormulaC8 H8 N2 O2
Molecular Weight164.161
SMILES
PubChem49763030
Formal Charge0
Total Atoms20
Total Chiral Atoms2
Total Bonds22
Total Aromatic Bonds5
Networks4
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This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8UTD A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens MK1903 - Gi1/Beta1/Gamma2 3.24 2025-02-26 doi.org/10.1016/j.cell.2024.11.001

A 2D representation of the interactions of XOT in 8UTD
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:L83 6.29 7 Yes No 0 6 0 1
L:L:?1 R:R:Y87 11.98 7 Yes Yes 0 6 0 1
L:L:?1 R:R:W91 3.88 7 Yes Yes 0 4 0 1
L:L:?1 R:R:L104 3.14 7 Yes No 0 5 0 1
L:L:?1 R:R:L107 11 7 Yes No 0 6 0 1
L:L:?1 R:R:R111 5.52 7 Yes No 0 8 0 1
L:L:?1 R:R:S178 5.12 7 Yes No 0 4 0 1
L:L:?1 R:R:F277 4.15 7 Yes Yes 0 5 0 1
L:L:?1 R:R:Y284 7.99 7 Yes Yes 0 7 0 1
R:R:I26 R:R:L30 2.85 0 No Yes 5 5 2 2
R:R:I26 R:R:W91 4.7 0 No Yes 5 4 2 1
R:R:L30 R:R:Y87 10.55 0 Yes Yes 5 6 2 1
R:R:E37 R:R:Y284 4.49 0 No Yes 7 7 2 1
R:R:L83 R:R:Y87 5.86 7 No Yes 6 6 1 1
R:R:L83 R:R:Y284 3.52 7 No Yes 6 7 1 1
R:R:W91 R:R:Y87 3.86 7 Yes Yes 4 6 1 1
R:R:F277 R:R:Y87 5.16 7 Yes Yes 5 6 1 1
R:R:L176 R:R:W91 7.97 0 No Yes 4 4 2 1
R:R:F277 R:R:W91 8.02 7 Yes Yes 5 4 1 1
R:R:K165 R:R:L104 4.23 0 No No 4 5 2 1
R:R:C177 R:R:L104 4.76 0 No No 9 5 2 1
R:R:L107 R:R:Y284 5.86 7 No Yes 6 7 1 1
R:R:E196 R:R:R111 4.65 0 No No 5 8 2 1
R:R:R111 R:R:T283 3.88 0 No No 8 8 1 2
R:R:D273 R:R:F277 5.97 0 No Yes 4 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength6.56
Average Nodes In Shell19.00
Average Hubs In Shell6.00
Average Links In Shell25.00
Average Links Mediated by Hubs In Shell21.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9IZC A Alicarboxylic acid Hydroxycarboxylic acid HCA2 Homo Sapiens MK1903 - Gi1/Beta1/Gamma2 2.68 2025-04-02 To be published

A 2D representation of the interactions of XOT in 9IZC
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 12 2 Yes Yes 3 4 2 1
R:R:I26 R:R:W91 3.52 0 No Yes 5 4 2 1
R:R:L30 R:R:L34 2.77 0 No Yes 5 8 2 2
R:R:L30 R:R:Y87 7.03 0 No Yes 5 6 2 1
R:R:L34 R:R:L80 4.15 0 Yes Yes 8 8 2 2
R:R:L34 R:R:L83 2.77 0 Yes Yes 8 6 2 1
R:R:E37 R:R:L80 2.65 2 Yes Yes 7 8 2 2
R:R:E37 R:R:Y284 3.37 2 Yes Yes 7 7 2 1
R:R:L107 R:R:L76 4.15 2 Yes No 6 7 1 2
R:R:C79 R:R:L107 3.17 0 No Yes 6 6 2 1
R:R:L80 R:R:Y284 5.86 2 Yes Yes 8 7 2 1
R:R:L83 R:R:Y87 14.07 2 Yes Yes 6 6 1 1
R:R:L83 R:R:M103 5.65 2 Yes Yes 6 5 1 2
L:L:?1 R:R:L83 7.13 2 Yes Yes 0 6 0 1
R:R:N86 R:R:Y87 3.49 2 No Yes 5 6 2 1
R:R:N86 R:R:W91 5.65 2 No Yes 5 4 2 1
R:R:W91 R:R:Y87 12.54 2 Yes Yes 4 6 1 1
R:R:F277 R:R:Y87 4.13 2 Yes Yes 5 6 1 1
L:L:?1 R:R:Y87 8.05 2 Yes Yes 0 6 0 1
R:R:L176 R:R:W91 5.69 2 Yes Yes 4 4 2 1
R:R:S178 R:R:W91 6.18 2 No Yes 4 4 1 1
R:R:F277 R:R:W91 12.03 2 Yes Yes 5 4 1 1
L:L:?1 R:R:W91 5.87 2 Yes Yes 0 4 0 1
R:R:C100 R:R:L104 3.17 2 Yes Yes 9 5 2 1
R:R:C100 R:R:M167 4.86 2 Yes Yes 9 3 2 2
R:R:C100 R:R:C177 7.28 2 Yes Yes 9 9 2 2
R:R:L104 R:R:M103 2.83 2 Yes Yes 5 5 1 2
R:R:L107 R:R:M103 4.24 2 Yes Yes 6 5 1 2
R:R:C177 R:R:M103 3.24 2 Yes Yes 9 5 2 2
R:R:L104 R:R:M167 4.24 2 Yes Yes 5 3 1 2
R:R:C177 R:R:L104 4.76 2 Yes Yes 9 5 2 1
L:L:?1 R:R:L104 5.94 2 Yes Yes 0 5 0 1
R:R:L107 R:R:Y284 3.52 2 Yes Yes 6 7 1 1
L:L:?1 R:R:L107 10.7 2 Yes Yes 0 6 0 1
R:R:E196 R:R:R111 6.98 0 Yes Yes 5 8 2 1
R:R:L280 R:R:R111 3.64 2 Yes Yes 5 8 2 1
R:R:R111 R:R:T283 7.76 2 Yes Yes 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 11.47 2 Yes Yes 0 8 0 1
R:R:L162 R:R:S179 3 2 No Yes 4 4 2 1
R:R:H189 R:R:L162 10.29 2 Yes No 5 4 2 2
R:R:L176 R:R:S178 3 2 Yes No 4 4 2 1
L:L:?1 R:R:S178 2.58 2 Yes No 0 4 0 1
R:R:F180 R:R:S179 5.28 2 Yes Yes 3 4 1 1
R:R:H189 R:R:S179 9.76 2 Yes Yes 5 4 2 1
L:L:?1 R:R:S179 11.6 2 Yes Yes 0 4 0 1
R:R:F180 R:R:H189 22.63 2 Yes Yes 3 5 1 2
R:R:E190 R:R:F180 7 2 Yes Yes 4 3 2 1
R:R:F180 R:R:F193 11.79 2 Yes Yes 3 6 1 2
R:R:F180 R:R:R251 3.21 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 5.36 2 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 2.44 2 Yes Yes 3 5 1 2
L:L:?1 R:R:F180 5.23 2 Yes Yes 0 3 0 1
R:R:E190 R:R:R251 16.28 2 Yes Yes 4 5 2 2
R:R:E196 R:R:F193 3.5 0 Yes Yes 5 6 2 2
R:R:F193 R:R:R251 6.41 2 Yes Yes 6 5 2 2
R:R:F276 R:R:R251 13.9 2 Yes Yes 4 5 2 2
R:R:F276 R:R:F277 3.22 2 Yes Yes 4 5 2 1
R:R:F276 R:R:L280 3.65 2 Yes Yes 4 5 2 2
L:L:?1 R:R:F277 3.14 2 Yes Yes 0 5 0 1
R:R:L280 R:R:T283 7.37 2 Yes Yes 5 8 2 2
R:R:L280 R:R:Y284 3.52 2 Yes Yes 5 7 2 1
R:R:T283 R:R:Y284 4.99 2 Yes Yes 8 7 2 1
L:L:?1 R:R:Y284 9.06 2 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub10.00
Average Interaction Strength7.34
Average Nodes In Shell35.00
Average Hubs In Shell28.00
Average Links In Shell64.00
Average Links Mediated by Hubs In Shell64.00
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 Links9.50
Average Number Of Links With An Hub5.75
Average Interaction Strength7.20
Average Nodes In Shell25.25
Average Hubs In Shell12.75
Average Links In Shell37.25
Average Links Mediated by Hubs In Shell34.25

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)