CodeNFI
Name3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid
Synonyms
Identifier
FormulaC20 H17 N O5
Molecular Weight351.353
SMILES
PubChem168654812
Formal Charge0
Total Atoms43
Total Chiral Atoms0
Total Bonds45
Total Aromatic Bonds16
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8HVI A Orphan Orphan GPR132 Homo Sapiens NOX-6-7 - Gi1/Beta1/Gamma2 3.04 2023-10-11 0.1038/s42255-023-00899-4

A 2D representation of the interactions of NFI in 8HVI
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:N104 3.63 7 Yes Yes 0 4 0 1
L:L:?1 R:R:H106 10.2 7 Yes Yes 0 5 0 1
L:L:?1 R:R:W108 10.04 7 Yes Yes 0 9 0 1
L:L:?1 R:R:D188 8.37 7 Yes No 0 5 0 1
L:L:?1 R:R:M189 6.23 7 Yes No 0 4 0 1
L:L:?1 R:R:L190 4.88 7 Yes No 0 4 0 1
L:L:?1 R:R:Q191 5.87 7 Yes No 0 4 0 1
L:L:?1 R:R:Y287 44.43 7 Yes No 0 4 0 1
R:R:W108 R:R:W98 10.31 7 Yes No 9 6 1 2
R:R:N104 R:R:R103 3.62 7 Yes No 4 4 1 2
R:R:N104 R:R:W108 5.65 7 Yes Yes 4 9 1 1
R:R:H106 R:R:W108 9.52 7 Yes Yes 5 9 1 1
R:R:H106 R:R:L112 5.14 7 Yes No 5 3 1 2
R:R:D188 R:R:H106 3.78 7 No Yes 5 5 1 1
R:R:L112 R:R:W108 5.69 7 No Yes 3 9 2 1
R:R:C115 R:R:W108 13.06 0 No Yes 9 9 2 1
R:R:E181 R:R:M189 5.41 0 No No 5 4 2 1
R:R:D188 R:R:Q191 7.83 7 No No 5 4 1 1
R:R:L190 R:R:Y287 3.52 7 No No 4 4 1 1
R:R:E283 R:R:Q191 7.65 0 No No 3 4 2 1
R:R:S290 R:R:Y287 6.36 0 No No 5 4 2 1
R:R:N104 R:R:V99 2.96 7 Yes No 4 7 1 2
L:L:?1 R:R:Q105 2.35 7 Yes No 0 4 0 1
R:R:I102 R:R:W108 2.35 0 No Yes 6 9 2 1
R:R:Q105 R:R:R107 1.17 0 No No 4 5 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.67
Average Nodes In Shell20.00
Average Hubs In Shell4.00
Average Links In Shell25.00
Average Links Mediated by Hubs In Shell19.00
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 Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.67
Average Nodes In Shell20.00
Average Hubs In Shell4.50
Average Links In Shell25.50
Average Links Mediated by Hubs In Shell19.50

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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 🔍)