Code8WL
NameN-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
SynonymsAR231453
Identifier~{N}-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
FormulaC21 H24 F N7 O5 S
Molecular Weight505.523
SMILESCC(C)c1nc(on1)C2CCN(CC2)c3c(c(ncn3)Nc4ccc(cc4F)S(=O)(=O)C)[N+](=O)[O-]
PubChem24939268
Formal Charge0
Total Atoms59
Total Chiral Atoms0
Total Bonds62
Total Aromatic Bonds17
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
7WCN A Lipid GPR119 GPR119 Homo Sapiens AR231453 - Gs/Beta1/Gamma2 2.87 2022-12-21  10.1038/s41467-022-34696-6

A 2D representation of the interactions of 8WL in 7WCN
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:L61 R:R:V85 2.98 5 No No 5 7 1 1
L:L:?1 R:R:L61 4.4 5 Yes No 0 5 0 1
R:R:F157 R:R:M82 6.22 5 Yes No 4 5 1 2
R:R:F161 R:R:M82 6.22 5 Yes No 4 5 2 2
L:L:?1 R:R:V85 5.68 5 Yes No 0 7 0 1
R:R:G137 R:R:T86 3.64 0 No No 7 5 2 1
L:L:?1 R:R:T86 6.56 5 Yes No 0 5 0 1
L:L:?1 R:R:A89 5 5 Yes No 0 6 0 1
R:R:F234 R:R:V93 2.62 0 Yes No 9 7 2 1
L:L:?1 R:R:V93 6.63 5 Yes No 0 7 0 1
R:R:A159 R:R:S156 3.42 0 No No 4 4 2 1
R:R:F157 R:R:F158 18.22 5 Yes Yes 4 3 1 2
R:R:F157 R:R:F161 9.65 5 Yes Yes 4 4 1 2
R:R:F157 R:R:V166 2.62 5 Yes No 4 6 1 2
R:R:E261 R:R:F157 9.33 5 No Yes 4 4 1 1
L:L:?1 R:R:F157 20.12 5 Yes Yes 0 4 0 1
R:R:F158 R:R:V166 3.93 5 Yes No 3 6 2 2
R:R:F158 R:R:L260 7.31 5 Yes Yes 3 4 2 2
R:R:E261 R:R:F158 8.16 5 No Yes 4 3 1 2
R:R:F165 R:R:L169 6.09 5 No No 6 6 2 1
R:R:F241 R:R:V166 5.24 5 Yes No 6 6 1 2
L:L:?1 R:R:L169 4.4 5 Yes No 0 6 0 1
R:R:F174 R:R:F234 3.22 5 Yes Yes 8 9 1 2
R:R:F174 R:R:W238 3.01 5 Yes Yes 8 8 1 1
R:R:F174 R:R:T239 3.89 5 Yes No 8 4 1 2
R:R:F174 R:R:L242 6.09 5 Yes No 8 6 1 2
L:L:?1 R:R:F174 3.1 5 Yes Yes 0 8 0 1
R:R:F241 R:R:W238 6.01 5 Yes Yes 6 8 1 1
R:R:W238 R:R:W265 2.81 5 Yes Yes 8 3 1 1
R:R:G268 R:R:W238 9.85 0 No Yes 7 8 2 1
R:R:N271 R:R:W238 3.39 0 No Yes 9 8 2 1
L:L:?1 R:R:W238 10.13 5 Yes Yes 0 8 0 1
R:R:F241 R:R:L260 4.87 5 Yes Yes 6 4 1 2
L:L:?1 R:R:F241 6.19 5 Yes Yes 0 6 0 1
L:L:?1 R:R:E261 11.79 5 Yes No 0 4 0 1
R:R:V269 R:R:W265 8.58 0 No Yes 6 3 2 1
L:L:?1 R:R:W265 26.05 5 Yes Yes 0 3 0 1
R:R:I58 R:R:W265 2.35 0 No Yes 7 3 2 1
L:L:?1 R:R:G173 2.17 5 Yes No 0 6 0 1
L:L:?1 R:R:S156 0.95 5 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.08
Average Nodes In Shell30.00
Average Hubs In Shell10.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell36.00
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 Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.08
Average Nodes In Shell30.00
Average Hubs In Shell10.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell36.00

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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 🔍)