CodeBYI
Name2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid
Synonyms
Identifier2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid
FormulaC54 H52 N4 O16 S2
Molecular Weight1,077.138
SMILESCC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NC2(C(C(C2c3ccc(c(c3)OC)OC(=O)c4cccs4)(C(=O)O)NC(=O)c5ccc(cc5)NC(=O)OC(C)(C)C)c6ccc(c(c6)OC)OC(=O)c7c
ccs7)C(=O)O
PubChem
Formal Charge0
Total Atoms128
Total Chiral Atoms0
Total Bonds134
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
7X8R B1 Peptide Glucagon GLP-1 Homo sapiens BOC5 - Gs/Beta1/Gamma2 2.61 2022-06-29 10.1073/pnas.2200155119

A 2D representation of the interactions of BYI in 7X8R
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
L:L:?1 R:R:W33 15.81 8 Yes No 0 3 0 1
R:R:R299 R:R:R40 4.26 0 No No 4 2 1 2
R:R:E139 R:R:Q140 14.02 0 No No 2 4 2 1
L:L:?1 R:R:Q140 5.54 8 Yes No 0 4 0 1
L:L:?1 R:R:L141 14.41 8 Yes No 0 5 0 1
R:R:F385 R:R:L144 7.31 0 No No 6 6 2 1
L:L:?1 R:R:L144 5.76 8 Yes No 0 6 0 1
R:R:M233 R:R:S193 7.67 8 No No 6 6 1 2
R:R:K197 R:R:L201 5.64 8 No No 6 7 1 1
R:R:K197 R:R:M233 7.2 8 No No 6 6 1 1
L:L:?1 R:R:K197 6.85 8 Yes No 0 6 0 1
L:L:?1 R:R:L201 6.72 8 Yes No 0 7 0 1
R:R:C226 R:R:C296 7.28 0 No No 9 9 1 2
L:L:?1 R:R:C226 4.41 8 Yes No 0 9 0 1
L:L:?1 R:R:V229 4.14 8 Yes No 0 7 0 1
R:R:F230 R:R:Q234 8.2 8 No No 5 7 1 2
R:R:F230 R:R:T298 5.19 8 No No 5 5 1 1
L:L:?1 R:R:F230 5.07 8 Yes No 0 5 0 1
L:L:?1 R:R:M233 3.92 8 Yes No 0 6 0 1
L:L:?1 R:R:T298 9.21 8 Yes No 0 5 0 1
L:L:?1 R:R:R299 4.22 8 Yes No 0 4 0 1
R:R:F381 R:R:R380 11.76 0 No No 4 5 1 2
L:L:?1 R:R:F381 15.21 8 Yes No 0 4 0 1
L:L:?1 R:R:L388 2.88 8 Yes No 0 7 0 1
R:R:C226 R:R:Y220 2.69 0 No Yes 9 3 1 2
R:R:E138 R:R:L141 2.65 0 No No 2 5 2 1
R:R:F381 R:R:T378 2.59 0 No No 4 2 1 2
R:R:W33 R:R:Y205 1.93 0 No No 3 3 1 2
R:R:I196 R:R:V229 1.54 0 No No 5 7 2 1
L:L:?1 R:R:A200 1.09 8 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub0.00
Average Interaction Strength7.02
Average Nodes In Shell28.00
Average Hubs In Shell2.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell16.00
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 Hub0.00
Average Interaction Strength7.02
Average Nodes In Shell28.00
Average Hubs In Shell2.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell16.00

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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 🔍)