CodeU39
Name2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
Synonyms
Identifier
FormulaC18 H20 N2 O4 S
Molecular Weight360.427
SMILES
PubChem71598556
Formal Charge0
Total Atoms45
Total Chiral Atoms0
Total Bonds47
Total Aromatic Bonds12
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
8DWG A Orphan Orphan MRGPRX1 Homo Sapiens Proenkephalin-A ML382 chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 2.71 2022-11-02 doi.org/10.1038/s41589-022-01173-6

A 2D representation of the interactions of U39 in 8DWG
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:M15 L:L:Y17 11.97 1 No Yes 0 0 2 1
L:L:M15 R:R:F250 7.46 1 No Yes 0 3 2 2
L:L:Q18 L:L:Y17 13.53 0 No Yes 0 0 2 1
L:L:Y17 R:R:F250 10.32 1 Yes Yes 0 3 1 2
L:L:Y17 R:R:H254 14.16 1 Yes Yes 0 1 1 1
L:L:Y17 W:W:?1 3.91 1 Yes Yes 0 0 1 0
L:L:R20 R:R:Y99 18.52 1 Yes Yes 0 3 2 2
L:L:R20 R:R:F236 4.28 1 Yes Yes 0 4 2 1
R:R:S83 R:R:T31 3.2 0 No Yes 6 4 2 1
R:R:S86 R:R:T31 6.4 0 No Yes 2 4 2 1
R:R:F75 R:R:R79 16.03 1 Yes Yes 6 6 2 1
R:R:F75 R:R:M102 4.98 1 Yes No 6 4 2 1
R:R:F75 R:R:Y106 7.22 1 Yes Yes 6 7 2 2
R:R:F75 R:R:S261 3.96 1 Yes No 6 7 2 2
R:R:M102 R:R:R79 7.44 1 No Yes 4 6 1 1
R:R:F232 R:R:R79 10.69 1 Yes Yes 5 6 1 1
R:R:I258 R:R:R79 13.78 1 No Yes 4 6 1 1
R:R:R79 W:W:?1 12.17 1 Yes Yes 6 0 1 0
R:R:S95 R:R:Y82 7.63 0 No No 7 3 2 1
R:R:Y82 W:W:?1 43.84 0 No Yes 3 0 1 0
R:R:M103 R:R:Y99 5.99 1 Yes Yes 2 3 2 2
R:R:F236 R:R:Y99 6.19 1 Yes Yes 4 3 1 2
R:R:M102 W:W:?1 15.11 1 No Yes 4 0 1 0
R:R:F232 R:R:M103 3.73 1 Yes Yes 5 2 1 2
R:R:F236 R:R:M103 3.73 1 Yes Yes 4 2 1 2
R:R:F237 R:R:M103 4.98 1 Yes Yes 5 2 2 2
R:R:F232 R:R:Y106 6.19 1 Yes Yes 5 7 1 2
R:R:F232 R:R:Q235 4.68 1 Yes Yes 5 3 1 2
R:R:F232 R:R:S257 3.96 1 Yes No 5 6 1 2
R:R:F232 R:R:S261 6.61 1 Yes No 5 7 1 2
R:R:F232 W:W:?1 3.25 1 Yes Yes 5 0 1 0
R:R:H254 R:R:Q235 9.89 1 Yes Yes 1 3 1 2
R:R:Q235 R:R:S257 10.11 1 Yes No 3 6 2 2
R:R:F236 R:R:F237 9.65 1 Yes Yes 4 5 1 2
R:R:F236 R:R:H254 3.39 1 Yes Yes 4 1 1 1
R:R:F236 W:W:?1 5.69 1 Yes Yes 4 0 1 0
R:R:F250 R:R:H254 4.53 1 Yes Yes 3 1 2 1
R:R:H254 R:R:I258 7.95 1 Yes No 1 4 1 1
R:R:H254 W:W:?1 10.3 1 Yes Yes 1 0 1 0
R:R:I258 W:W:?1 16.2 1 No Yes 4 0 1 0
R:R:T31 W:W:?1 2.95 0 Yes Yes 4 0 1 0
L:L:Y17 R:R:L249 2.34 1 Yes No 0 3 1 2
R:R:T31 R:R:V32 1.59 0 Yes No 4 6 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub6.00
Average Interaction Strength12.60
Average Nodes In Shell27.00
Average Hubs In Shell15.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell42.00
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 Links8.50
Average Number Of Links With An Hub5.50
Average Interaction Strength13.19
Average Nodes In Shell25.50
Average Hubs In Shell14.50
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)