CodeQJT
Name1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
Synonyms
Identifier1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
FormulaC21 H32 N2 O
Molecular Weight328.492
SMILESCCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
PubChem10236758
Formal Charge0
Total Atoms56
Total Chiral Atoms0
Total Bonds58
Total Aromatic Bonds6
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
6ZFZ A Amine Acetylcholine (muscarinic) M1 Homo sapiens 77-LH-28-1 - - 2.17 2021-10-06 10.1016/j.cell.2021.11.001

A 2D representation of the interactions of QJT in 6ZFZ
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:I74 R:R:Y408 4.84 0 No Yes 8 8 2 1
R:R:D105 R:R:S78 7.36 1 No No 9 8 1 2
R:R:S78 R:R:Y408 6.36 1 No Yes 8 8 2 1
R:R:M79 R:R:Y408 4.79 1 Yes Yes 8 8 2 1
R:R:L81 R:R:W91 5.69 0 No Yes 7 9 2 1
R:R:Y82 R:R:Y85 3.97 1 Yes No 7 7 1 1
R:R:I86 R:R:Y82 8.46 1 No Yes 7 7 2 1
R:R:E401 R:R:Y82 4.49 1 No Yes 6 7 2 1
R:R:Y404 R:R:Y82 8.94 1 No Yes 7 7 1 1
R:R:W405 R:R:Y82 9.65 1 No Yes 8 7 2 1
L:L:?1 R:R:Y82 17.73 1 Yes Yes 0 7 0 1
R:R:W91 R:R:Y85 3.86 1 Yes No 9 7 1 1
L:L:?1 R:R:Y85 6.17 1 Yes No 0 7 0 1
R:R:E401 R:R:I86 6.83 1 No No 6 7 2 2
R:R:L93 R:R:W91 14.81 0 No Yes 7 9 2 1
R:R:C98 R:R:W91 6.53 1 No Yes 9 9 2 1
R:R:C178 R:R:W91 10.45 1 Yes Yes 9 9 1 1
L:L:?1 R:R:W91 3.75 1 Yes Yes 0 9 0 1
R:R:C178 R:R:C98 7.28 1 Yes No 9 9 1 2
R:R:C178 R:R:L102 4.76 1 Yes No 9 7 1 2
R:R:I180 R:R:L102 4.28 7 Yes No 7 7 2 2
R:R:D105 R:R:Y408 8.05 1 No Yes 9 8 1 1
L:L:?1 R:R:D105 16.96 1 Yes No 0 9 0 1
R:R:W157 R:R:Y106 13.5 0 Yes No 8 8 2 1
R:R:I180 R:R:Y106 12.09 7 Yes No 7 8 2 1
L:L:?1 R:R:Y106 10.79 1 Yes No 0 8 0 1
L:L:?1 R:R:S109 5.93 1 Yes No 0 8 0 1
L:L:?1 R:R:C178 4.18 1 Yes Yes 0 9 0 1
L:L:?1 R:R:T196 4.85 1 Yes No 0 8 0 1
R:R:Y381 R:R:Y404 7.94 0 Yes No 8 7 2 1
L:L:?1 R:R:Y404 17.73 1 Yes No 0 7 0 1
L:L:?1 R:R:Y408 12.34 1 Yes Yes 0 8 0 1
R:R:G94 R:R:W91 2.81 0 No Yes 7 9 2 1
R:R:A97 R:R:W91 2.59 0 No Yes 6 9 2 1
R:R:G176 R:R:W91 1.41 0 No Yes 2 9 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.04
Average Nodes In Shell27.00
Average Hubs In Shell9.00
Average Links In Shell35.00
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.04
Average Nodes In Shell27.00
Average Hubs In Shell9.00
Average Links In Shell35.00
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 🔍)