CodeSUV
NameSuvorexant
Synonymssuvorexant
Identifier[(7R)-4-(5-chloranyl-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(1,2,3-triazol-2-yl)phenyl]methanone
FormulaC23 H23 Cl N6 O2
Molecular Weight450.921
SMILESCc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5
PubChem24965990
Formal Charge0
Total Atoms55
Total Chiral Atoms1
Total Bonds59
Total Aromatic Bonds21
Networks4
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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
4S0V A Peptide Orexin OX2 Homo sapiens Suvorexant - - 2.5 2015-01-14 10.1038/nature14035

A 2D representation of the interactions of SUV in 4S0V
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 4.96 1 Yes Yes 7 7 1 2
R:R:Q134 R:R:V103 4.3 1 Yes No 7 7 1 2
R:R:C107 R:R:Q134 4.58 1 No Yes 7 7 2 1
R:R:C107 R:R:Y354 4.03 1 No Yes 7 7 2 1
R:R:L108 R:R:Y354 8.21 1 Yes Yes 7 7 2 1
R:R:D115 R:R:T111 4.34 1 No 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 8.46 1 Yes Yes 0 7 0 1
R:R:D115 R:R:H350 10.08 1 No Yes 5 5 2 1
R:R:M191 R:R:P131 10.06 0 No No 6 5 2 1
L:L:?1 R:R:P131 12.56 1 Yes No 0 5 0 1
R:R:Q134 R:R:Y354 6.76 1 Yes Yes 7 7 1 1
L:L:?1 R:R:Q134 21.21 1 Yes Yes 0 7 0 1
R:R:Q187 R:R:T135 9.92 0 Yes No 6 6 1 2
R:R:E212 R:R:Q187 6.37 9 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 7.64 1 Yes Yes 0 6 0 1
R:R:V353 R:R:Y317 10.09 0 No No 7 7 1 2
R:R:I320 R:R:N324 7.08 1 No No 7 7 1 1
R:R:H350 R:R:I320 3.98 1 Yes No 5 7 1 1
L:L:?1 R:R:I320 10.92 1 Yes No 0 7 0 1
L:L:?1 R:R:N324 9.63 1 Yes No 0 7 0 1
L:L:?1 R:R:H350 9.84 1 Yes Yes 0 5 0 1
L:L:?1 R:R:V353 3.8 1 Yes No 0 7 0 1
L:L:?1 R:R:Y354 6.73 1 Yes Yes 0 7 0 1
R:R:I130 R:R:P131 3.39 0 No No 5 5 2 1
R:R:F346 R:R:H350 3.39 0 No Yes 4 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.09
Average Nodes In Shell22.00
Average Hubs In Shell10.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell26.00
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
4ZJ8 A Peptide Orexin OX1 Homo sapiens Suvorexant - - 2.75 2016-03-09 10.1038/nsmb.3183

A 2D representation of the interactions of SUV in 4ZJ8
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 4.69 0 Yes Yes 8 7 2 2
R:R:S103 R:R:Y53 6.36 1 Yes Yes 7 7 1 2
R:R:Q126 R:R:V95 5.73 1 Yes No 8 8 1 2
R:R:V95 R:R:Y348 3.79 1 No Yes 8 7 2 1
R:R:C99 R:R:Q126 6.1 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 10.55 0 Yes Yes 8 7 2 1
R:R:H344 R:R:S103 4.18 1 Yes Yes 7 7 1 1
R:R:S103 R:R:Y348 10.17 1 Yes Yes 7 7 1 1
L:L:?1 R:R:S103 3.83 1 Yes Yes 0 7 0 1
R:R:D107 R:R:H344 10.08 0 No Yes 6 7 2 1
R:R:F114 R:R:W112 14.03 0 Yes Yes 6 8 2 1
R:R:C119 R:R:W112 5.22 1 No Yes 9 8 2 1
R:R:C202 R:R:W112 9.14 1 No Yes 9 8 2 1
L:L:?1 R:R:W112 3.63 1 Yes Yes 0 8 0 1
R:R:C119 R:R:C202 7.28 1 No No 9 9 2 2
R:R:M183 R:R:P123 10.06 0 Yes No 4 6 2 1
L:L:?1 R:R:P123 14.66 1 Yes No 0 6 0 1
R:R:Q126 R:R:Y348 7.89 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Q126 23.76 1 Yes Yes 0 8 0 1
R:R:A127 R:R:M176 6.44 0 No Yes 6 8 2 2
R:R:A127 R:R:Q179 4.55 0 No Yes 6 7 2 1
R:R:V130 R:R:Y311 10.09 0 No No 7 8 1 2
L:L:?1 R:R:V130 4.75 1 Yes No 0 7 0 1
R:R:F219 R:R:M176 4.98 0 Yes Yes 6 8 1 2
R:R:M183 R:R:Q179 4.08 0 Yes Yes 4 7 2 1
R:R:Q179 R:R:Y215 9.02 0 Yes Yes 7 7 1 2
L:L:?1 R:R:Q179 11.88 1 Yes Yes 0 7 0 1
R:R:F219 R:R:Y215 4.13 0 Yes Yes 6 7 1 2
R:R:F219 R:R:T223 14.27 0 Yes No 6 6 1 2
L:L:?1 R:R:F219 5.44 1 Yes Yes 0 6 0 1
R:R:V347 R:R:Y311 8.83 1 No No 7 8 1 2
R:R:I314 R:R:N318 7.08 1 Yes No 7 7 1 1
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 1
L:L:?1 R:R:I314 12.74 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N318 14.01 1 Yes No 0 7 0 1
L:L:?1 R:R:H344 12.3 1 Yes Yes 0 7 0 1
L:L:?1 R:R:V347 4.75 1 Yes No 0 7 0 1
L:L:?1 R:R:Y348 6.73 1 Yes Yes 0 7 0 1
R:R:I122 R:R:W112 3.52 0 No Yes 6 8 2 1
R:R:V106 R:R:W112 2.45 0 No Yes 6 8 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub8.00
Average Interaction Strength9.87
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell39.00
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
6TO7 A Peptide Orexin OX1 Homo sapiens Suvorexant Na - 2.26 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of SUV in 6TO7
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 7.03 1 Yes Yes 8 7 2 2
R:R:S103 R:R:Y53 7.63 1 Yes Yes 7 7 1 2
R:R:D107 R:R:Y53 4.6 1 Yes Yes 6 7 2 2
R:R:Y348 R:R:Y53 4.96 1 Yes Yes 7 7 1 2
R:R:C99 R:R:I122 3.27 1 Yes Yes 8 6 2 2
R:R:C99 R:R:Q126 7.63 1 Yes No 8 8 2 1
R:R:C99 R:R:Y348 4.03 1 Yes Yes 8 7 2 1
R:R:L100 R:R:Y348 11.72 1 Yes Yes 8 7 2 1
R:R:D107 R:R:S103 4.42 1 Yes Yes 6 7 2 1
R:R:H344 R:R:S103 4.18 1 Yes Yes 7 7 1 1
R:R:S103 R:R:Y348 8.9 1 Yes Yes 7 7 1 1
L:L:?1 R:R:S103 4.79 1 Yes Yes 0 7 0 1
R:R:D107 R:R:H344 8.82 1 Yes Yes 6 7 2 1
R:R:I122 R:R:P123 3.39 0 Yes No 6 6 2 1
R:R:M183 R:R:P123 10.06 0 No No 4 6 2 1
L:L:?1 R:R:P123 10.47 1 Yes No 0 6 0 1
R:R:Q126 R:R:Y348 9.02 1 No Yes 8 7 1 1
L:L:?1 R:R:Q126 20.37 1 Yes No 0 8 0 1
R:R:V130 R:R:Y311 6.31 0 No Yes 7 8 1 2
L:L:?1 R:R:V130 3.8 1 Yes No 0 7 0 1
R:R:F219 R:R:M176 6.22 0 Yes Yes 6 8 1 2
R:R:E204 R:R:Q179 6.37 1 Yes No 5 7 2 1
R:R:Q179 R:R:Y215 9.02 0 No Yes 7 7 1 2
L:L:?1 R:R:Q179 11.03 1 Yes No 0 7 0 1
R:R:E204 R:R:H216 8.62 1 Yes Yes 5 6 2 1
R:R:E204 R:R:R322 13.96 1 Yes Yes 5 6 2 2
R:R:H216 R:R:Y215 9.8 1 Yes Yes 6 7 1 2
R:R:F219 R:R:Y215 4.13 0 Yes Yes 6 7 1 2
R:R:H216 R:R:R322 20.31 1 Yes Yes 6 6 1 2
L:L:?1 R:R:H216 3.28 1 Yes Yes 0 6 0 1
R:R:F219 R:R:T223 11.67 0 Yes No 6 6 1 2
L:L:?1 R:R:F219 8.54 1 Yes Yes 0 6 0 1
R:R:V347 R:R:Y311 10.09 0 No Yes 7 8 1 2
R:R:I314 R:R:N318 7.08 1 No No 7 7 1 1
R:R:H344 R:R:I314 5.3 1 Yes No 7 7 1 1
L:L:?1 R:R:I314 13.65 1 Yes No 0 7 0 1
L:L:?1 R:R:N318 9.63 1 Yes No 0 7 0 1
R:R:F340 R:R:H344 4.53 0 Yes Yes 5 7 2 1
L:L:?1 R:R:H344 10.66 1 Yes Yes 0 7 0 1
L:L:?1 R:R:V347 3.8 1 Yes No 0 7 0 1
L:L:?1 R:R:Y348 6.73 1 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.90
Average Nodes In Shell26.00
Average Hubs In Shell17.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00
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
6TPJ A Peptide Orexin OX2 Homo sapiens Suvorexant - - 2.74 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of SUV in 6TPJ
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 4.69 1 Yes Yes 7 7 2 2
R:R:T111 R:R:Y61 6.24 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 Yes 7 7 2 2
R:R:Q134 R:R:V103 5.73 1 Yes Yes 7 7 1 2
R:R:V103 R:R:Y354 6.31 1 Yes Yes 7 7 2 1
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 10.55 1 Yes Yes 7 7 2 1
R:R:D115 R:R:T111 4.34 1 No 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 9.99 1 Yes Yes 7 7 1 1
L:L:?2 R:R:T111 9.4 1 Yes Yes 0 7 0 1
R:R:D115 R:R:H350 10.08 1 No Yes 5 5 2 1
R:R:I130 R:R:P131 3.39 0 No No 5 5 2 1
R:R:M191 R:R:P131 10.06 0 No No 6 5 2 1
L:L:?2 R:R:P131 11.52 1 Yes No 0 5 0 1
R:R:Q134 R:R:Y354 9.02 1 Yes Yes 7 7 1 1
L:L:?2 R:R:Q134 20.37 1 Yes Yes 0 7 0 1
R:R:Q187 R:R:T135 7.09 0 Yes No 6 6 1 2
R:R:M191 R:R:Q187 5.44 0 No Yes 6 6 2 1
R:R:E212 R:R:Q187 5.1 1 Yes Yes 4 6 2 1
R:R:Q187 R:R:Y223 10.15 0 Yes Yes 6 8 1 2
L:L:?2 R:R:Q187 5.94 1 Yes Yes 0 6 0 1
R:R:V353 R:R:Y317 10.09 0 No Yes 7 7 1 2
R:R:I320 R:R:N324 8.5 1 No No 7 7 1 1
R:R:H350 R:R:I320 3.98 1 Yes No 5 7 1 1
L:L:?2 R:R:I320 13.65 1 Yes No 0 7 0 1
L:L:?2 R:R:N324 13.13 1 Yes No 0 7 0 1
R:R:F346 R:R:H350 5.66 1 Yes Yes 4 5 2 1
L:L:?2 R:R:H350 11.48 1 Yes Yes 0 5 0 1
L:L:?2 R:R:V353 3.8 1 Yes No 0 7 0 1
L:L:?2 R:R:Y354 4.48 1 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.42
Average Nodes In Shell22.00
Average Hubs In Shell14.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell30.00
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 Links10.50
Average Number Of Links With An Hub5.75
Average Interaction Strength9.82
Average Nodes In Shell24.75
Average Hubs In Shell14.00
Average Links In Shell36.50
Average Links Mediated by Hubs In Shell33.50

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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 🔍)