Code7MA
NameN-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide
Synonyms
Identifier~{N}-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-~{N}-(pyridin-3-ylmethyl)ethanamide
FormulaC23 H26 N4 O4 S
Molecular Weight454.542
SMILESCCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C
PubChem9981404
Formal Charge0
Total Atoms58
Total Chiral Atoms0
Total Bonds60
Total Aromatic Bonds18
Networks4
 missing image

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
5WQC A Peptide Orexin OX2 Homo sapiens EMPA - - 1.96 2017-11-29 10.1016/j.str.2017.11.005

A 2D representation of the interactions of 7MA in 5WQC
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:L108 R:R:Y61 5.86 1 Yes Yes 7 7 2 2
R:R:T111 R:R:Y61 3.75 1 Yes Yes 7 7 1 2
R:R:Y354 R:R:Y61 5.96 1 Yes Yes 7 7 1 2
R:R:C107 R:R:V103 6.83 1 Yes No 7 7 2 2
R:R:Q134 R:R:V103 5.73 1 Yes No 7 7 1 2
R:R:C107 R:R:Q134 6.1 1 Yes Yes 7 7 2 1
R:R:C107 R:R:Y354 4.03 1 Yes Yes 7 7 2 1
R:R:L108 R:R:Y354 15.24 1 Yes Yes 7 7 2 1
R:R:H350 R:R:T111 4.11 1 Yes Yes 5 7 1 1
R:R:T111 R:R:Y354 9.99 1 Yes Yes 7 7 1 1
L:L:?1 R:R:T111 5.47 1 Yes Yes 0 7 0 1
R:R:D115 R:R:H350 10.08 0 No Yes 5 5 2 1
R:R:M191 R:R:P131 8.39 1 No No 6 5 1 1
L:L:?1 R:R:P131 14.22 1 Yes No 0 5 0 1
R:R:Q134 R:R:Y354 9.02 1 Yes Yes 7 7 1 1
L:L:?1 R:R:Q134 8.23 1 Yes Yes 0 7 0 1
R:R:M184 R:R:T135 10.54 1 Yes No 7 6 2 2
R:R:Q187 R:R:T135 8.5 0 Yes No 6 6 1 2
R:R:F227 R:R:T135 5.19 1 Yes No 5 6 1 2
R:R:V138 R:R:Y317 3.79 0 No Yes 6 7 1 2
L:L:?1 R:R:V138 3.69 1 Yes No 0 6 0 1
R:R:F227 R:R:M184 6.22 1 Yes Yes 5 7 1 2
R:R:E212 R:R:Q187 6.37 1 Yes Yes 4 6 2 1
R:R:Q187 R:R:Y223 9.02 0 Yes Yes 6 8 1 2
L:L:?1 R:R:Q187 4.12 1 Yes Yes 0 6 0 1
R:R:E212 R:R:M191 4.06 1 Yes No 4 6 2 1
L:L:?1 R:R:M191 3.5 1 Yes No 0 6 0 1
R:R:E212 R:R:H224 9.85 1 Yes Yes 4 6 2 2
R:R:E212 R:R:R328 19.77 1 Yes Yes 4 4 2 2
R:R:H224 R:R:Y223 10.89 1 Yes Yes 6 8 2 2
R:R:F227 R:R:Y223 7.22 1 Yes Yes 5 8 1 2
R:R:H224 R:R:N324 14.03 1 Yes No 6 7 2 1
R:R:H224 R:R:R328 19.18 1 Yes Yes 6 4 2 2
R:R:F227 R:R:T231 15.56 1 Yes No 5 6 1 2
L:L:?1 R:R:F227 13.56 1 Yes Yes 0 5 0 1
R:R:S321 R:R:Y232 8.9 0 No Yes 6 8 1 2
R:R:V353 R:R:Y317 10.09 0 No Yes 7 7 2 2
R:R:I320 R:R:S349 7.74 0 No No 7 6 1 2
R:R:I320 R:R:V353 4.61 0 No No 7 7 1 2
L:L:?1 R:R:I320 17.66 1 Yes No 0 7 0 1
L:L:?1 R:R:S321 3.72 1 Yes No 0 6 0 1
R:R:N324 R:R:R328 4.82 1 No Yes 7 4 1 2
L:L:?1 R:R:N324 9.34 1 Yes No 0 7 0 1
R:R:H350 R:R:S349 4.18 1 Yes No 5 6 1 2
L:L:?1 R:R:H350 15.91 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y354 5.8 1 Yes Yes 0 7 0 1
R:R:I130 R:R:P131 3.39 0 No No 5 5 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.77
Average Nodes In Shell30.00
Average Hubs In Shell17.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell43.00
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
5WS3 A Peptide Orexin OX2 Homo sapiens EMPA - - 2.3 2017-12-13 10.1016/j.str.2017.11.005

A 2D representation of the interactions of 7MA in 5WS3
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:L108 R:R:Y61 5.86 1 Yes Yes 7 7 2 2
R:R:Y354 R:R:Y61 4.96 1 Yes Yes 7 7 1 2
R:R:C107 R:R:V103 5.12 1 No No 7 7 2 2
R:R:Q134 R:R:V103 5.73 1 Yes No 7 7 1 2
R:R:C107 R:R:Q134 6.1 1 No Yes 7 7 2 1
R:R:L108 R:R:Y354 15.24 1 Yes Yes 7 7 2 1
R:R:D115 R:R:T111 4.34 1 Yes Yes 5 7 2 1
R:R:H350 R:R:T111 4.11 1 Yes Yes 5 7 1 1
R:R:T111 R:R:Y354 11.24 1 Yes Yes 7 7 1 1
L:L:?1 R:R:T111 4.56 1 Yes Yes 0 7 0 1
R:R:D115 R:R:H350 11.35 1 Yes Yes 5 5 2 1
R:R:M191 R:R:P131 8.39 0 No No 6 5 2 1
L:L:?1 R:R:P131 15.24 1 Yes No 0 5 0 1
R:R:Q134 R:R:Y354 10.15 1 Yes Yes 7 7 1 1
L:L:?1 R:R:Q134 12.35 1 Yes Yes 0 7 0 1
R:R:M184 R:R:T135 10.54 1 Yes No 7 6 2 2
R:R:Q187 R:R:T135 7.09 0 Yes No 6 6 1 2
R:R:F227 R:R:T135 5.19 1 Yes No 5 6 1 2
R:R:F227 R:R:M184 4.98 1 Yes Yes 5 7 1 2
R:R:E212 R:R:Q187 6.37 1 Yes Yes 4 6 2 1
R:R:Q187 R:R:Y223 10.15 0 Yes Yes 6 8 1 2
L:L:?1 R:R:Q187 4.12 1 Yes Yes 0 6 0 1
R:R:E212 R:R:M191 4.06 1 Yes No 4 6 2 2
R:R:E212 R:R:H224 9.85 1 Yes Yes 4 6 2 2
R:R:E212 R:R:R328 19.77 1 Yes Yes 4 4 2 2
R:R:H224 R:R:Y223 8.71 1 Yes Yes 6 8 2 2
R:R:F227 R:R:Y223 5.16 1 Yes Yes 5 8 1 2
R:R:H224 R:R:N324 14.03 1 Yes No 6 7 2 1
R:R:H224 R:R:R328 21.44 1 Yes Yes 6 4 2 2
R:R:F227 R:R:T231 15.56 1 Yes No 5 6 1 2
L:L:?1 R:R:F227 11.3 1 Yes Yes 0 5 0 1
R:R:I320 R:R:S349 7.74 1 Yes No 7 6 1 2
R:R:H350 R:R:I320 3.98 1 Yes Yes 5 7 1 1
R:R:I320 R:R:V353 4.61 1 Yes No 7 7 1 2
L:L:?1 R:R:I320 20.31 1 Yes Yes 0 7 0 1
R:R:N324 R:R:R328 6.03 1 No Yes 7 4 1 2
L:L:?1 R:R:N324 9.34 1 Yes No 0 7 0 1
R:R:H350 R:R:S349 4.18 1 Yes No 5 6 1 2
L:L:?1 R:R:H350 15.11 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y354 6.53 1 Yes Yes 0 7 0 1
R:R:I130 R:R:P131 3.39 0 No No 5 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.98
Average Nodes In Shell26.00
Average Hubs In Shell16.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell38.00
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
6TOD A Peptide Orexin OX1 Homo sapiens EMPA Na - 2.11 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of 7MA in 6TOD
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:L100 R:R:Y53 5.86 1 Yes Yes 8 7 2 2
R:R:S103 R:R:Y53 3.82 1 No Yes 7 7 2 2
R:R:D107 R:R:Y53 4.6 0 No Yes 6 7 2 2
R:R:Y348 R:R:Y53 5.96 1 Yes Yes 7 7 1 2
R:R:A95 R:R:Q126 4.55 0 No Yes 8 8 2 1
R:R:C99 R:R:Q126 7.63 1 No Yes 8 8 2 1
R:R:C99 R:R:Y348 4.03 1 No Yes 8 7 2 1
R:R:L100 R:R:Y348 15.24 1 Yes Yes 8 7 2 1
R:R:S103 R:R:Y348 8.9 1 No Yes 7 7 2 1
R:R:D107 R:R:H344 8.82 0 No Yes 6 7 2 1
R:R:M183 R:R:P123 8.39 0 No No 4 6 2 1
L:L:?1 R:R:P123 14.22 1 Yes No 0 6 0 1
R:R:Q126 R:R:Y348 10.15 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Q126 8.23 1 Yes Yes 0 8 0 1
R:R:M176 R:R:T127 9.03 1 Yes No 8 6 2 2
R:R:Q179 R:R:T127 7.09 0 Yes No 7 6 1 2
R:R:F219 R:R:T127 5.19 1 Yes No 6 6 1 2
R:R:V130 R:R:Y311 6.31 0 No Yes 7 8 1 2
L:L:?1 R:R:V130 3.69 1 Yes No 0 7 0 1
R:R:F219 R:R:M176 4.98 1 Yes Yes 6 8 1 2
R:R:E204 R:R:Q179 6.37 3 Yes Yes 5 7 2 1
R:R:Q179 R:R:Y215 10.15 0 Yes Yes 7 7 1 2
L:L:?1 R:R:Q179 7.41 1 Yes Yes 0 7 0 1
R:R:E204 R:R:H216 8.62 3 Yes Yes 5 6 2 2
R:R:H216 R:R:Y215 10.89 3 Yes Yes 6 7 2 2
R:R:F219 R:R:Y215 5.16 1 Yes Yes 6 7 1 2
R:R:H216 R:R:N318 12.75 3 Yes No 6 7 2 1
R:R:F219 R:R:T223 14.27 1 Yes No 6 6 1 2
L:L:?1 R:R:F219 14.32 1 Yes Yes 0 6 0 1
R:R:V347 R:R:Y311 10.09 0 No Yes 7 8 2 2
R:R:I314 R:R:S343 6.19 1 Yes No 7 6 1 2
R:R:H344 R:R:I314 3.98 1 Yes Yes 7 7 1 1
R:R:I314 R:R:V347 4.61 1 Yes No 7 7 1 2
L:L:?1 R:R:I314 18.54 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N318 12.74 1 Yes No 0 7 0 1
R:R:H344 R:R:S343 4.18 1 Yes No 7 6 1 2
L:L:?1 R:R:H344 14.32 1 Yes Yes 0 7 0 1
L:L:?1 R:R:Y348 5.8 1 Yes Yes 0 7 0 1
R:R:I122 R:R:P123 3.39 0 No No 6 6 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub6.00
Average Interaction Strength11.03
Average Nodes In Shell27.00
Average Hubs In Shell14.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell37.00
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
6TPG A Peptide Orexin OX2 Homo sapiens EMPA - - 2.74 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of 7MA in 6TPG
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:L108 R:R:Y61 7.03 1 Yes Yes 7 7 2 2
R:R:T111 R:R:Y61 3.75 1 Yes Yes 7 7 1 2
R:R:Y354 R:R:Y61 5.96 1 Yes Yes 7 7 1 2
R:R:C107 R:R:V103 5.12 1 No No 7 7 2 2
R:R:Q134 R:R:V103 7.16 1 Yes No 7 7 1 2
R:R:C107 R:R:Q134 6.1 1 No Yes 7 7 2 1
R:R:L108 R:R:Y354 15.24 1 Yes Yes 7 7 2 1
R:R:D115 R:R:T111 4.34 1 Yes Yes 5 7 2 1
R:R:H350 R:R:T111 4.11 1 Yes Yes 5 7 1 1
R:R:T111 R:R:Y354 11.24 1 Yes Yes 7 7 1 1
L:L:?1 R:R:T111 6.38 1 Yes Yes 0 7 0 1
R:R:D115 R:R:H350 11.35 1 Yes Yes 5 5 2 1
R:R:M191 R:R:P131 8.39 0 No No 6 5 2 1
L:L:?1 R:R:P131 8.13 1 Yes No 0 5 0 1
R:R:Q134 R:R:Y354 7.89 1 Yes Yes 7 7 1 1
L:L:?1 R:R:Q134 9.06 1 Yes Yes 0 7 0 1
R:R:M184 R:R:T135 7.53 1 Yes No 7 6 2 2
R:R:F227 R:R:T135 5.19 1 Yes No 5 6 1 2
L:L:?1 R:R:V138 5.53 1 Yes No 0 6 0 1
R:R:F227 R:R:M184 4.98 1 Yes Yes 5 7 1 2
R:R:H224 R:R:Y223 9.8 8 Yes Yes 6 8 2 2
R:R:F227 R:R:Y223 5.16 1 Yes Yes 5 8 1 2
R:R:H224 R:R:N324 12.75 8 Yes No 6 7 2 1
R:R:F227 R:R:T231 14.27 1 Yes No 5 6 1 2
L:L:?1 R:R:F227 13.56 1 Yes Yes 0 5 0 1
R:R:S321 R:R:Y232 8.9 0 No Yes 6 8 1 2
R:R:I320 R:R:S349 4.64 1 Yes No 7 6 1 2
R:R:H350 R:R:I320 3.98 1 Yes Yes 5 7 1 1
R:R:I320 R:R:V353 4.61 1 Yes No 7 7 1 2
L:L:?1 R:R:I320 20.31 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S321 3.72 1 Yes No 0 6 0 1
L:L:?1 R:R:N324 9.34 1 Yes No 0 7 0 1
R:R:F346 R:R:H350 4.53 0 Yes Yes 4 5 2 1
R:R:H350 R:R:S349 4.18 1 Yes No 5 6 1 2
L:L:?1 R:R:H350 17.5 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y354 5.8 1 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.93
Average Nodes In Shell26.00
Average Hubs In Shell15.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell34.00
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 Hub6.25
Average Interaction Strength10.18
Average Nodes In Shell27.25
Average Hubs In Shell15.50
Average Links In Shell40.75
Average Links Mediated by Hubs In Shell38.00

missing image


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 🔍)