CodeNVH
Name2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
Synonyms
Identifier2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
FormulaC19 H13 F3 N4 O5 S2
Molecular Weight498.456
SMILESCS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F
PubChem145714283
Formal Charge0
Total Atoms46
Total Chiral Atoms0
Total Bonds49
Total Aromatic Bonds18
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
6TQ6 A Peptide Orexin OX1 Homo sapiens PubChem 145714283 - - 2.55 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of NVH in 6TQ6
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:C99 R:R:Q126 9.16 1 No Yes 8 8 2 1
R:R:C99 R:R:Y348 4.03 1 No Yes 8 7 2 2
R:R:A102 R:R:I122 3.25 0 No Yes 5 6 2 1
R:R:I122 R:R:W112 4.7 1 Yes Yes 6 8 1 2
R:R:I122 R:R:P123 3.39 1 Yes No 6 6 1 1
L:L:?1 R:R:I122 3.61 1 Yes Yes 0 6 0 1
R:R:M183 R:R:P123 8.39 0 No No 4 6 2 1
L:L:?1 R:R:P123 11.41 1 Yes No 0 6 0 1
R:R:Q126 R:R:Y348 11.27 1 Yes Yes 8 7 1 2
L:L:?1 R:R:Q126 10.09 1 Yes Yes 0 8 0 1
R:R:V130 R:R:Y311 3.79 0 No Yes 7 8 2 1
R:R:E204 R:R:Q179 6.37 1 Yes No 5 7 2 1
R:R:Q179 R:R:Y215 6.76 0 No Yes 7 7 1 2
L:L:?1 R:R:Q179 10.09 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 17.45 1 Yes Yes 5 6 2 2
R:R:H216 R:R:Y215 8.71 1 Yes Yes 6 7 1 2
R:R:F219 R:R:Y215 4.13 0 No 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 4.06 1 Yes Yes 0 6 0 1
R:R:F219 R:R:T223 10.38 0 No No 6 6 1 2
L:L:?1 R:R:F219 15.39 1 Yes No 0 6 0 1
R:R:F307 R:R:Y311 17.54 1 Yes Yes 9 8 2 1
R:R:F307 R:R:N350 6.04 1 Yes Yes 9 9 2 2
R:R:V347 R:R:Y311 7.57 0 No Yes 7 8 2 1
R:R:N350 R:R:Y311 4.65 1 Yes Yes 9 8 2 1
L:L:?1 R:R:Y311 2.96 1 Yes Yes 0 8 0 1
R:R:I314 R:R:S343 4.64 0 Yes No 7 6 1 2
R:R:H344 R:R:I314 3.98 0 No Yes 7 7 2 1
R:R:I314 R:R:V347 3.07 0 Yes No 7 7 1 2
L:L:?1 R:R:I314 13.53 1 Yes Yes 0 7 0 1
R:R:F340 R:R:N318 3.62 1 Yes No 5 7 2 1
L:L:?1 R:R:N318 13.88 1 Yes No 0 7 0 1
R:R:F340 R:R:H344 3.39 1 Yes No 5 7 2 2
R:R:Q126 R:R:S129 2.89 1 Yes No 8 7 1 2
R:R:I122 R:R:I98 1.47 1 Yes No 6 5 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.45
Average Nodes In Shell28.00
Average Hubs In Shell14.00
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 Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.45
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)