CodeU39
Name2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
Synonyms
Identifier2-(cyclopropylsulfonylamino)-~{N}-(2-ethoxyphenyl)benzamide
FormulaC18 H20 N2 O4 S
Molecular Weight360.427
SMILESCCOc1ccccc1NC(=O)c2ccccc2NS(=O)(=O)C3CC3
PubChem71598556
Formal Charge0
Total Atoms45
Total Chiral Atoms0
Total Bonds47
Total Aromatic Bonds12
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
8DWG A Orphan A orphans MRGPRX1 Homo sapiens Proenkephalin-A ML382 chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 2.71  2022-11-02  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:I81 R:R:L98 4.28 0 No Yes 5 4 2 1
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:I94 R:R:L98 9.99 0 No Yes 5 4 2 1
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:L98 W:W:?1 1.85 0 Yes Yes 4 0 1 0
R:R:G78 R:R:L98 1.71 0 No Yes 5 4 2 1
R:R:T31 R:R:V32 1.59 0 Yes No 4 6 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength11.53
Average Nodes In Shell31.00
Average Hubs In Shell16.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell46.00
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 Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength11.53
Average Nodes In Shell31.00
Average Hubs In Shell16.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell46.00

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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 🔍)