CodeNV8
Name2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
Synonyms
Identifier2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
FormulaC21 H23 N3 O3 S
Molecular Weight397.491
SMILESc1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4
PubChem16046844
Formal Charge0
Total Atoms51
Total Chiral Atoms0
Total Bonds55
Total Aromatic Bonds16
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
6TQ4 A Peptide Orexin OX1 Homo sapiens PubChem 16046844 Na - 2.3 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of NV8 in 6TQ4
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:A95 R:R:Q126 4.55 0 No Yes 8 8 2 1
R:R:C99 R:R:Q126 9.16 2 No Yes 8 8 2 1
R:R:C99 R:R:Y348 4.03 2 No Yes 8 7 2 2
R:R:I122 R:R:P123 3.39 0 No No 6 6 2 1
R:R:M183 R:R:P123 8.39 0 No No 4 6 2 1
L:L:?1 R:R:P123 11.54 2 Yes No 0 6 0 1
R:R:Q126 R:R:Y348 7.89 2 Yes Yes 8 7 1 2
L:L:?1 R:R:Q126 10.2 2 Yes Yes 0 8 0 1
R:R:F219 R:R:M176 4.98 0 Yes Yes 6 8 1 2
R:R:E204 R:R:Q179 6.37 2 Yes No 5 7 1 1
R:R:Q179 R:R:Y215 9.02 2 No Yes 7 7 1 2
L:L:?1 R:R:Q179 10.2 2 Yes No 0 7 0 1
R:R:E204 R:R:V182 5.7 2 Yes No 5 6 1 2
R:R:V182 R:R:W206 9.81 2 No Yes 6 7 2 2
R:R:E204 R:R:W206 11.99 2 Yes Yes 5 7 1 2
R:R:E204 R:R:H216 9.85 2 Yes Yes 5 6 1 1
R:R:E204 R:R:R322 17.45 2 Yes Yes 5 6 1 2
L:L:?1 R:R:E204 3.39 2 Yes Yes 0 5 0 1
R:R:W206 R:R:Y215 6.75 2 Yes Yes 7 7 2 2
R:R:H216 R:R:Y215 8.71 2 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 2 Yes Yes 6 6 1 2
L:L:?1 R:R:H216 4.11 2 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 11.67 2 Yes Yes 0 6 0 1
R:R:I314 R:R:S343 4.64 0 No No 7 6 1 2
R:R:H344 R:R:I314 3.98 0 Yes No 7 7 2 1
L:L:?1 R:R:I314 10.03 2 Yes No 0 7 0 1
L:L:?1 R:R:N318 14.04 2 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.40
Average Nodes In Shell22.00
Average Hubs In Shell11.00
Average Links In Shell29.00
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 🔍)
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.40
Average Nodes In Shell22.00
Average Hubs In Shell11.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell26.00

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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 🔍)