CodeFFR
Name2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
Synonyms
Identifier2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
FormulaC30 H27 F N6 O4
Molecular Weight554.572
SMILESc1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O
PubChem149050799
Formal Charge0
Total Atoms68
Total Chiral Atoms1
Total Bonds73
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
7C2E B1 Peptide Glucagon GLP-1 Homo sapiens PubChem 149050799 - Gs/Beta1/Gamma2 4.2 2020-08-26 10.1038/s41422-020-0384-8

A 2D representation of the interactions of FFR in 7C2E
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:L32 R:R:T35 2.95 0 No No 4 5 1 2
L:L:?1 R:R:L32 5.41 5 Yes No 0 4 0 1
R:R:E34 R:R:W33 3.27 0 No Yes 4 3 2 1
R:R:Q37 R:R:W33 3.29 0 No Yes 4 3 2 1
R:R:R299 R:R:W33 3 0 No Yes 4 3 2 1
R:R:F381 R:R:W33 19.04 5 No Yes 4 3 1 1
L:L:?1 R:R:W33 11.88 5 Yes Yes 0 3 0 1
R:R:D215 R:R:V36 4.38 0 Yes No 3 2 2 1
L:L:?1 R:R:V36 8.74 5 Yes No 0 2 0 1
R:R:Y145 R:R:Y148 7.94 0 Yes Yes 5 7 2 2
R:R:L201 R:R:Y145 9.38 0 No Yes 7 5 1 2
R:R:F385 R:R:Y148 9.28 5 Yes Yes 6 7 1 2
R:R:L388 R:R:Y148 8.21 5 No Yes 7 7 2 2
L:L:?1 R:R:L201 7.22 5 Yes No 0 7 0 1
L:L:?1 R:R:L218 13.53 5 Yes No 0 3 0 1
R:R:C296 R:R:D222 3.11 5 No No 9 6 1 1
L:L:?1 R:R:D222 3.54 5 Yes No 0 6 0 1
R:R:C226 R:R:C296 7.28 0 No No 9 9 2 1
R:R:F230 R:R:W284 3.01 0 No Yes 5 8 1 2
L:L:?1 R:R:F230 11.12 5 Yes No 0 5 0 1
L:L:?1 R:R:C296 5.17 5 Yes No 0 9 0 1
R:R:R299 R:R:T298 3.88 0 No No 4 5 2 1
L:L:?1 R:R:T298 10.57 5 Yes No 0 5 0 1
R:R:G377 R:R:R299 6 0 No No 4 4 2 2
R:R:E373 R:R:R380 9.3 0 No Yes 4 5 2 1
R:R:G377 R:R:R380 4.5 0 No Yes 4 5 2 1
R:R:L384 R:R:R380 6.07 5 No Yes 5 5 1 1
L:L:?1 R:R:R380 6.34 5 Yes Yes 0 5 0 1
L:L:?1 R:R:F381 18.26 5 Yes No 0 4 0 1
R:R:F385 R:R:L384 4.87 5 Yes No 6 5 1 1
L:L:?1 R:R:L384 11.73 5 Yes No 0 5 0 1
R:R:F385 R:R:L388 3.65 5 Yes No 6 7 1 2
L:L:?1 R:R:F385 3.97 5 Yes Yes 0 6 0 1
R:R:F385 R:R:L141 2.44 5 Yes No 6 5 1 2
R:R:L32 R:R:S206 1.5 0 No No 4 4 1 2
R:R:L218 R:R:Q221 1.33 0 No No 3 4 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.04
Average Nodes In Shell29.00
Average Hubs In Shell8.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell29.00
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 Strength9.04
Average Nodes In Shell29.00
Average Hubs In Shell8.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell29.00

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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 🔍)