CodeWB2
Name2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid
Synonyms
Identifier2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid
FormulaC52 H48 N4 O14 S2
Molecular Weight1,017.086
SMILESCC(C)C(=O)Nc1ccc(cc1)C(=O)NC2(C(C(C2c3ccc(c(c3)OC)OC(=O)c4cccs4)(C(=O)O)NC(=O)c5ccc(cc5)NC(=O)C(C)C)c6ccc(c(c6)OC)OC(=O)c7cccs7)C(=
O)O
PubChem
Formal Charge0
Total Atoms120
Total Chiral Atoms2
Total Bonds126
Total Aromatic Bonds34
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
7X8S B1 Peptide Glucagon GLP-1 Homo sapiens WB4-24 - Gs/Beta1/Gamma2 3.09 2022-06-29 10.1073/pnas.2200155119

A 2D representation of the interactions of WB2 in 7X8S
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:L201 R:R:W33 4.56 5 No Yes 7 3 1 1
R:R:W33 R:R:Y205 11.58 5 Yes Yes 3 3 1 2
R:R:Q221 R:R:W33 6.57 0 No Yes 4 3 2 1
R:R:T298 R:R:W33 7.28 5 No Yes 5 3 1 1
L:L:?1 R:R:W33 19.82 5 Yes Yes 0 3 0 1
R:R:Q37 R:R:R299 9.35 0 No No 4 4 2 1
R:R:E138 R:R:Q140 7.65 0 No Yes 2 4 2 1
R:R:E139 R:R:Q140 8.92 0 No Yes 2 4 2 1
R:R:F381 R:R:Q140 4.68 5 No Yes 4 4 1 1
L:L:?1 R:R:Q140 5.15 5 Yes Yes 0 4 0 1
L:L:?1 R:R:L141 17.84 5 Yes No 0 5 0 1
L:L:?1 R:R:L144 8.92 5 Yes No 0 6 0 1
R:R:I146 R:R:Y145 3.63 0 No Yes 4 5 2 1
R:R:Y145 R:R:Y148 9.93 5 Yes Yes 5 7 1 2
R:R:T149 R:R:Y145 12.48 5 No Yes 7 5 2 1
R:R:D198 R:R:Y145 13.79 5 No Yes 7 5 2 1
R:R:K202 R:R:Y145 8.36 5 No Yes 4 5 1 1
L:L:?1 R:R:Y145 3.02 5 Yes Yes 0 5 0 1
R:R:T149 R:R:Y148 4.99 5 No Yes 7 7 2 2
R:R:D198 R:R:Y148 3.45 5 No Yes 7 7 2 2
R:R:L388 R:R:Y148 5.86 0 No Yes 7 7 1 2
R:R:K197 R:R:M233 4.32 0 No No 6 6 1 2
L:L:?1 R:R:K197 10 5 Yes No 0 6 0 1
R:R:D198 R:R:K202 6.91 5 No No 7 4 2 1
R:R:L201 R:R:Y205 7.03 5 No Yes 7 3 1 2
L:L:?1 R:R:L201 6.24 5 Yes No 0 7 0 1
L:L:?1 R:R:K202 3.63 5 Yes No 0 4 0 1
R:R:C226 R:R:C296 7.28 0 No No 9 9 1 2
L:L:?1 R:R:C226 5.11 5 Yes No 0 9 0 1
R:R:C296 R:R:T298 5.07 0 No No 9 5 2 1
L:L:?1 R:R:T298 7.6 5 Yes No 0 5 0 1
L:L:?1 R:R:R299 3.91 5 Yes No 0 4 0 1
R:R:G377 R:R:R380 9.01 0 No No 4 5 2 1
L:L:?1 R:R:R380 3.13 5 Yes No 0 5 0 1
R:R:F381 R:R:I382 5.02 5 No No 4 4 1 2
L:L:?1 R:R:F381 7.85 5 Yes No 0 4 0 1
R:R:K383 R:R:L384 8.46 0 No No 7 5 2 1
L:L:?1 R:R:L384 5.35 5 Yes No 0 5 0 1
L:L:?1 R:R:L388 4.46 5 Yes No 0 7 0 1
L:L:?1 R:R:V229 2.88 5 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.18
Average Nodes In Shell31.00
Average Hubs In Shell6.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell32.00
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 Links16.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.18
Average Nodes In Shell31.00
Average Hubs In Shell6.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell32.00

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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 🔍)