CodeQ2B
Name3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole
Synonyms
Identifier
FormulaC20 H16 N2 O3
Molecular Weight332.353
SMILES
PubChem703205
Formal Charge0
Total Atoms41
Total Chiral Atoms1
Total Bonds44
Total Aromatic Bonds21
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
8IKG A Lipid Cannabinoid CB1 Homo Sapiens - Q2B Gi1/Beta1/Gamma1 3.4 2024-06-05 10.1073/pnas.2321532121

A 2D representation of the interactions of Q2B in 8IKG
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:I169 R:R:L165 4.28 0 Yes No 5 6 1 2
R:R:I169 W:W:?1 7.94 0 Yes Yes 5 0 1 0
R:R:F191 W:W:?1 31.63 0 No Yes 5 0 1 0
R:R:G194 W:W:?1 4.76 0 No Yes 6 0 1 0
R:R:G195 W:W:?1 9.52 0 No Yes 4 0 1 0
R:R:A248 W:W:?1 4.38 0 No Yes 7 0 1 0
R:R:L252 R:R:V249 2.98 11 No No 5 5 2 1
R:R:V249 W:W:?1 2.76 0 No Yes 5 0 1 0
R:R:A198 R:R:G195 1.95 0 No No 5 4 2 1
R:R:I169 R:R:V168 1.54 0 Yes No 5 4 1 2
R:R:L253 R:R:V249 1.49 0 No No 5 5 2 1
R:R:I169 R:R:K192 1.45 0 Yes No 5 6 1 2
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub1.00
Average Interaction Strength10.16
Average Nodes In Shell13.00
Average Hubs In Shell2.00
Average Links In Shell12.00
Average Links Mediated by Hubs In Shell9.00
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 Links6.00
Average Number Of Links With An Hub1.00
Average Interaction Strength10.16
Average Nodes In Shell13.00
Average Hubs In Shell2.00
Average Links In Shell12.00
Average Links Mediated by Hubs In Shell9.00

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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 🔍)