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
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
8UTD A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens MK1903 - Gi1/Beta1/Gamma2 3.24 2025-02-26 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 🔍)
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

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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 🔍)