Code8VP
NameMBX-2982
SynonymsMBX-2982
Identifier2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
FormulaC22 H24 N8 O S
Molecular Weight448.544
SMILESCCc1cnc(nc1)N2CCC(CC2)c3nc(cs3)COc4ccc(cc4)n5cnnn5
PubChem25025505
Formal Charge0
Total Atoms56
Total Chiral Atoms0
Total Bonds60
Total Aromatic Bonds22
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
7WCM A Lipid GPR119 GPR119 Homo Sapiens MBX-2982 - Gs/Beta1/Gamma2 2.33 2022-12-21  10.1038/s41467-022-34696-6

A 2D representation of the interactions of 8VP in 7WCM
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 10.96 4 Yes No 5 6 1 2
R:R:F7 R:R:R262 21.38 4 Yes No 5 3 1 2
R:R:F7 R:R:W265 3.01 4 Yes Yes 5 3 1 1
L:L:?1 R:R:F7 4.21 4 Yes Yes 0 5 0 1
R:R:I58 R:R:L11 2.85 4 Yes No 7 6 2 2
R:R:L11 R:R:W265 4.56 4 No Yes 6 3 2 1
R:R:I58 R:R:W265 4.7 4 Yes Yes 7 3 2 1
R:R:C78 R:R:M82 3.24 0 No No 9 5 2 1
L:L:?1 R:R:M82 3.26 4 Yes No 0 5 0 1
L:L:?1 R:R:T86 6.79 4 Yes No 0 5 0 1
L:L:?1 R:R:V93 9.43 4 Yes No 0 7 0 1
R:R:E261 R:R:S156 7.19 4 Yes No 4 4 1 2
R:R:F157 R:R:F158 13.93 4 Yes Yes 4 3 1 2
R:R:F157 R:R:F161 9.65 4 Yes No 4 4 1 2
R:R:E261 R:R:F157 5.83 4 Yes Yes 4 4 1 1
L:L:?1 R:R:F157 25.24 4 Yes Yes 0 4 0 1
R:R:E261 R:R:F158 7 4 Yes Yes 4 3 1 2
L:L:?1 R:R:L169 11.16 4 Yes No 0 6 0 1
L:L:?1 R:R:G173 3.94 4 Yes No 0 6 0 1
R:R:F174 R:R:F175 4.29 4 No No 8 5 1 2
R:R:F174 R:R:W238 4.01 4 No Yes 8 8 1 1
L:L:?1 R:R:F174 5.61 4 Yes No 0 8 0 1
R:R:F241 R:R:W238 6.01 4 Yes Yes 6 8 1 1
R:R:W238 R:R:W265 2.81 4 Yes Yes 8 3 1 1
R:R:G268 R:R:W238 11.26 0 No Yes 7 8 2 1
L:L:?1 R:R:W238 7.87 4 Yes Yes 0 8 0 1
R:R:F241 R:R:L260 6.09 4 Yes Yes 6 4 1 2
R:R:F241 R:R:L264 3.65 4 Yes Yes 6 4 1 2
L:L:?1 R:R:F241 6.31 4 Yes Yes 0 6 0 1
R:R:L260 R:R:L264 2.77 4 Yes Yes 4 4 2 2
L:L:?1 R:R:E261 9.92 4 Yes Yes 0 4 0 1
R:R:V269 R:R:W265 6.13 0 No Yes 6 3 2 1
L:L:?1 R:R:W265 28.85 4 Yes Yes 0 3 0 1
R:R:F157 R:R:V166 2.62 4 Yes No 4 6 1 2
R:R:F158 R:R:V166 2.62 4 Yes No 3 6 2 2
R:R:F7 R:R:L266 2.44 4 Yes No 5 5 1 2
L:L:?1 R:R:A89 1.81 4 Yes No 0 6 0 1
L:L:?1 R:R:A90 1.81 4 Yes No 0 7 0 1
R:R:F7 R:R:G8 1.51 4 Yes No 5 4 1 2
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.02
Average Nodes In Shell30.00
Average Hubs In Shell11.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell37.00
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 Hub6.00
Average Interaction Strength9.02
Average Nodes In Shell30.00
Average Hubs In Shell11.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell37.00

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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 🔍)