CodeUJU
Name5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide
SynonymsRalmitaront
Identifier5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide
FormulaC17 H22 N4 O2
Molecular Weight314.382
SMILESCCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)C
PubChem130429734
Formal Charge0
Total Atoms45
Total Chiral Atoms1
Total Bonds47
Total Aromatic Bonds11
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8JLP A Amine Trace amine receptors TA1 Homo Sapiens Ralmitaront - Gs/Beta1/Gamma2 3.23 2023-11-15 10.1038/s41586-023-06804-z

A 2D representation of the interactions of UJU in 8JLP
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:D103 R:R:V76 4.38 1 Yes No 6 7 1 2
R:R:D103 R:R:S107 2.94 1 Yes No 6 6 1 1
R:R:D103 R:R:Y294 8.05 1 Yes Yes 6 7 1 2
L:L:?1 R:R:D103 14.3 1 Yes Yes 0 6 0 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
R:R:I104 R:R:I159 2.94 0 No Yes 4 6 1 2
L:L:?1 R:R:I104 8.1 1 Yes No 0 4 0 1
R:R:S107 R:R:W264 3.71 1 No Yes 6 8 1 2
L:L:?1 R:R:S107 8.52 1 Yes No 0 6 0 1
R:R:P151 R:R:S108 3.56 0 No No 8 5 2 1
L:L:?1 R:R:S108 12.17 1 Yes No 0 5 0 1
L:L:?1 R:R:F112 4.94 1 Yes No 0 6 0 1
R:R:F154 R:R:M158 9.95 0 No Yes 4 5 1 2
L:L:?1 R:R:F154 10.86 1 Yes No 0 4 0 1
R:R:I159 R:R:M158 2.92 0 Yes Yes 6 5 2 2
R:R:I290 R:R:R179 3.76 0 No Yes 5 2 1 2
R:R:F186 R:R:V184 3.93 1 Yes No 1 4 1 2
R:R:F186 R:R:G191 3.01 1 Yes No 1 4 1 2
R:R:F186 R:R:T194 7.78 1 Yes No 1 5 1 1
L:L:?1 R:R:F186 3.95 1 Yes Yes 0 1 0 1
R:R:G191 R:R:T194 3.64 1 No No 4 5 2 1
L:L:?1 R:R:T194 11.95 1 Yes No 0 5 0 1
R:R:F195 R:R:F268 3.22 0 No Yes 5 7 2 1
R:R:F268 R:R:S198 5.28 1 Yes No 7 6 1 1
L:L:?1 R:R:S198 10.95 1 Yes No 0 6 0 1
R:R:F199 R:R:W264 4.01 1 Yes Yes 8 8 2 2
R:R:F199 R:R:F268 13.93 1 Yes Yes 8 7 2 1
R:R:F268 R:R:W264 3.01 1 Yes Yes 7 8 1 2
R:R:F267 R:R:F268 3.22 1 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 3.89 1 Yes No 5 5 1 2
R:R:F267 R:R:L289 8.53 1 Yes No 5 5 1 2
L:L:?1 R:R:F267 9.87 1 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 2.96 1 Yes Yes 0 7 0 1
R:R:I290 R:R:Y294 6.04 0 No Yes 5 7 1 2
L:L:?1 R:R:I290 5.78 1 Yes No 0 5 0 1
L:L:?1 R:R:T197 1.19 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.12
Average Nodes In Shell28.00
Average Hubs In Shell11.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell33.00
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 Hub4.00
Average Interaction Strength8.12
Average Nodes In Shell28.00
Average Hubs In Shell11.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)