CodeI7J
Namepropan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
Synonyms
Identifierpropan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
FormulaC21 H24 F N5 O5 S
Molecular Weight477.509
SMILESCC(C)OC(=O)N1CCC(CC1)Oc2c3cnn(c3ncn2)c4ccc(cc4F)S(=O)(=O)C
PubChem11705608
Formal Charge0
Total Atoms57
Total Chiral Atoms0
Total Bonds60
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
7XZ6 A Lipid GPR119 GPR119 Homo sapiens APD668 - Gs/Beta1/Gamma2 2.8 2022-08-24 10.1038/s41594-022-00816-5

A 2D representation of the interactions of I7J in 7XZ6
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:F7 R:R:L11 8.53 1 Yes Yes 5 6 2 2
R:R:F7 R:R:Q65 11.71 1 Yes Yes 5 4 2 1
R:R:F7 R:R:R262 19.24 1 Yes Yes 5 3 2 2
R:R:F7 R:R:W265 5.01 1 Yes Yes 5 3 2 1
R:R:F7 R:R:L266 3.65 1 Yes No 5 5 2 2
R:R:L11 R:R:W265 6.83 1 Yes Yes 6 3 2 1
R:R:A57 R:R:V85 3.39 0 No No 4 7 2 1
R:R:L61 R:R:R81 3.64 1 No Yes 5 6 1 2
R:R:L61 R:R:V85 4.47 1 No No 5 7 1 1
L:L:?1 R:R:L61 3.98 1 Yes No 0 5 0 1
R:R:D64 R:R:Q65 10.44 1 Yes Yes 4 4 2 1
R:R:D64 R:R:R81 4.76 1 Yes Yes 4 6 2 2
R:R:Q65 R:R:R262 9.35 1 Yes Yes 4 3 1 2
L:L:?1 R:R:Q65 3.82 1 Yes Yes 0 4 0 1
R:R:C78 R:R:R81 4.18 1 Yes Yes 9 6 2 2
R:R:C78 R:R:M82 3.24 1 Yes No 9 5 2 1
R:R:F161 R:R:M82 3.73 1 Yes No 4 5 2 1
L:L:?1 R:R:M82 7.45 1 Yes No 0 5 0 1
L:L:?1 R:R:V85 4.28 1 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 9.18 1 Yes No 0 5 0 1
R:R:A89 R:R:W238 3.89 1 No Yes 6 8 1 1
L:L:?1 R:R:A89 4.53 1 Yes No 0 6 0 1
R:R:F174 R:R:V93 3.93 1 Yes No 8 7 1 1
L:L:?1 R:R:V93 8.56 1 Yes No 0 7 0 1
R:R:F157 R:R:F158 10.72 1 Yes Yes 4 3 1 2
R:R:F157 R:R:F161 6.43 1 Yes Yes 4 4 1 2
R:R:F157 R:R:F165 4.29 1 Yes Yes 4 6 1 2
L:L:?1 R:R:F157 28 1 Yes Yes 0 4 0 1
R:R:F158 R:R:F241 3.22 1 Yes Yes 3 6 2 1
R:R:F158 R:R:L260 7.31 1 Yes No 3 4 2 2
R:R:F161 R:R:F165 4.29 1 Yes Yes 4 6 2 2
R:R:F165 R:R:L169 3.65 1 Yes No 6 6 2 1
L:L:?1 R:R:L169 7.29 1 Yes No 0 6 0 1
L:L:?1 R:R:G173 3.28 1 Yes No 0 6 0 1
R:R:F174 R:R:F234 6.43 1 Yes Yes 8 9 1 2
R:R:F174 R:R:S237 3.96 1 Yes No 8 7 1 2
R:R:F174 R:R:W238 11.02 1 Yes Yes 8 8 1 1
R:R:F174 R:R:T239 5.19 1 Yes Yes 8 4 1 2
R:R:F174 R:R:L242 6.09 1 Yes No 8 6 1 2
L:L:?1 R:R:F174 7.58 1 Yes Yes 0 8 0 1
R:R:S237 R:R:W238 8.65 1 No Yes 7 8 2 1
R:R:F241 R:R:W238 5.01 1 Yes Yes 6 8 1 1
R:R:W238 R:R:W265 3.75 1 Yes Yes 8 3 1 1
R:R:G268 R:R:W238 12.67 0 No Yes 7 8 2 1
L:L:?1 R:R:W238 21.27 1 Yes Yes 0 8 0 1
R:R:F241 R:R:L242 3.65 1 Yes No 6 6 1 2
R:R:F241 R:R:L260 10.96 1 Yes No 6 4 1 2
R:R:F241 R:R:W265 4.01 1 Yes Yes 6 3 1 1
L:L:?1 R:R:F241 5.83 1 Yes Yes 0 6 0 1
R:R:L266 R:R:W265 3.42 1 No Yes 5 3 2 1
R:R:V269 R:R:W265 9.81 0 No Yes 6 3 2 1
L:L:?1 R:R:W265 26.18 1 Yes Yes 0 3 0 1
R:R:I136 R:R:V132 3.07 0 No No 6 3 1 2
R:R:F157 R:R:V166 2.62 1 Yes Yes 4 6 1 2
R:R:F158 R:R:V166 2.62 1 Yes Yes 3 6 2 2
R:R:F241 R:R:V166 2.62 1 Yes Yes 6 6 1 2
L:L:?1 R:R:I136 2.05 1 Yes No 0 6 0 1
R:R:G173 R:R:P176 2.03 0 No No 6 5 1 2
R:R:G173 R:R:V172 1.84 0 No No 6 4 1 2
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.55
Average Nodes In Shell39.00
Average Hubs In Shell19.00
Average Links In Shell60.00
Average Links Mediated by Hubs In Shell54.00
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 Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.55
Average Nodes In Shell39.00
Average Hubs In Shell19.00
Average Links In Shell60.00
Average Links Mediated by Hubs In Shell54.00

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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 🔍)