Code82L
Name2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
Synonyms
Identifier2-[[4-[6-[[2,4-bis(fluoranyl)phenyl]methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]benzimidazole-5-carboxylic acid
FormulaC32 H32 F2 N6 O3
Molecular Weight586.632
SMILESCCn1cncc1Cn2c3cc(ccc3nc2CN4CCC(CC4)c5cccc(n5)OCc6ccc(cc6F)F)C(=O)O
PubChem134611223
Formal Charge0
Total Atoms75
Total Chiral Atoms0
Total Bonds80
Total Aromatic Bonds27
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
7S15 B1 Peptide Glucagon GLP-1 Homo sapiens PubChem 134611223 - - 3.8 2022-06-08 10.1021/acs.jmedchem.1c01856

A 2D representation of the interactions of 82L in 7S15
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:L32 5.71 1 Yes No 0 4 0 1
R:R:E34 R:R:W33 4.36 0 No Yes 4 3 2 1
R:R:Q37 R:R:W33 4.38 0 No Yes 4 3 2 1
R:R:Q221 R:R:W33 6.57 1 No Yes 4 3 1 1
R:R:F381 R:R:W33 8.02 1 No Yes 4 3 1 1
L:L:?1 R:R:W33 10.96 1 Yes Yes 0 3 0 1
R:R:E138 R:R:L141 3.98 0 No No 2 5 2 1
R:R:L141 R:R:W203 4.56 1 No Yes 5 3 1 1
L:L:?1 R:R:L141 3.8 1 Yes No 0 5 0 1
R:R:Y145 R:R:Y148 9.93 1 Yes Yes 5 7 2 2
R:R:D198 R:R:Y145 12.64 1 Yes Yes 7 5 2 2
R:R:W203 R:R:Y145 3.86 1 Yes Yes 3 5 1 2
R:R:M204 R:R:Y145 10.78 1 No Yes 3 5 2 2
R:R:D198 R:R:Y148 5.75 1 Yes Yes 7 7 2 2
R:R:F385 R:R:Y148 9.28 0 No Yes 6 7 1 2
R:R:D198 R:R:K197 4.15 1 Yes Yes 7 6 2 1
R:R:K197 R:R:M233 4.32 0 Yes No 6 6 1 2
L:L:?1 R:R:K197 17.44 1 Yes Yes 0 6 0 1
R:R:D198 R:R:W203 7.82 1 Yes Yes 7 3 2 1
R:R:L201 R:R:W203 3.42 1 No Yes 7 3 1 1
L:L:?1 R:R:L201 7.61 1 Yes No 0 7 0 1
R:R:M204 R:R:W203 3.49 1 No Yes 3 3 2 1
L:L:?1 R:R:W203 18.78 1 Yes Yes 0 3 0 1
R:R:L217 R:R:W214 4.56 0 No Yes 4 1 1 2
L:L:?1 R:R:L217 6.66 1 Yes No 0 4 0 1
R:R:C296 R:R:Q221 4.58 0 No No 9 4 2 1
L:L:?1 R:R:Q221 4.57 1 Yes No 0 4 0 1
R:R:F230 R:R:Q234 11.71 0 No No 5 7 1 2
R:R:F230 R:R:W297 7.02 0 No Yes 5 8 1 2
L:L:?1 R:R:F230 15.9 1 Yes No 0 5 0 1
R:R:R299 R:R:R380 23.46 12 No No 4 5 2 1
L:L:?1 R:R:R380 9.18 1 Yes No 0 5 0 1
L:L:?1 R:R:F381 8.37 1 Yes No 0 4 0 1
L:L:?1 R:R:L384 4.76 1 Yes No 0 5 0 1
L:L:?1 R:R:F385 3.35 1 Yes No 0 6 0 1
R:R:F381 R:R:T298 2.59 1 No No 4 5 1 2
R:R:F385 R:R:L144 2.44 0 No No 6 6 1 2
R:R:T207 R:R:W203 2.43 0 No Yes 3 3 2 1
R:R:L201 R:R:Y220 2.34 1 No No 7 3 1 2
R:R:R376 R:R:R380 2.13 0 No No 5 5 2 1
R:R:K197 R:R:V229 1.52 0 Yes No 6 7 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.01
Average Nodes In Shell33.00
Average Hubs In Shell9.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell33.00
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 Links13.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.01
Average Nodes In Shell33.00
Average Hubs In Shell9.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)