CodeQK8
Nameethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate
Synonyms
Identifierethyl (4~{S})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate
FormulaC20 H35 N3 O3
Molecular Weight365.51
SMILESCCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C
PubChem71528459
Formal Charge0
Total Atoms61
Total Chiral Atoms1
Total Bonds63
Total Aromatic Bonds0
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
6ZG4 A Amine Acetylcholine (muscarinic) M1 Homo sapiens HTL0009936 - - 2.33 2021-10-06 10.1016/j.cell.2021.11.001

A 2D representation of the interactions of QK8 in 6ZG4
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 Yes No 9 8 1 2
R:R:S78 R:R:Y408 5.09 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:I86 R:R:Y82 12.09 1 No Yes 7 7 2 1
R:R:Y404 R:R:Y82 8.94 1 No Yes 7 7 1 1
R:R:W405 R:R:Y82 19.29 1 No Yes 8 7 2 1
R:R:Y408 R:R:Y82 4.96 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y82 7.42 1 Yes Yes 0 7 0 1
R:R:W91 R:R:Y85 6.75 1 Yes No 9 7 1 1
R:R:C178 R:R:Y85 4.03 1 Yes No 9 7 2 1
L:L:?1 R:R:Y85 5.4 1 Yes No 0 7 0 1
R:R:I86 R:R:W405 3.52 1 No No 7 8 2 2
R:R:L93 R:R:W91 7.97 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 9.14 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W91 3.93 1 Yes Yes 0 9 0 1
R:R:C178 R:R:C98 7.28 1 Yes No 9 9 2 2
R:R:C178 R:R:L102 4.76 1 Yes No 9 7 2 1
R:R:I180 R:R:L102 4.28 1 Yes No 7 7 2 1
L:L:?1 R:R:L102 4.78 1 Yes No 0 7 0 1
R:R:D105 R:R:Y106 3.45 1 Yes Yes 9 8 1 1
R:R:D105 R:R:Y408 10.34 1 Yes Yes 9 8 1 1
L:L:?1 R:R:D105 13.28 1 Yes Yes 0 9 0 1
R:R:W157 R:R:Y106 14.47 1 Yes Yes 8 8 1 1
R:R:I161 R:R:Y106 3.63 1 No Yes 7 8 2 1
R:R:I180 R:R:Y106 12.09 1 Yes Yes 7 8 2 1
R:R:L183 R:R:Y106 3.52 1 Yes Yes 7 8 2 1
L:L:?1 R:R:Y106 22.27 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S109 7.78 1 Yes No 0 8 0 1
R:R:N110 R:R:S153 8.94 1 No Yes 8 8 1 2
R:R:N110 R:R:W157 9.04 1 No Yes 8 8 1 1
L:L:?1 R:R:N110 3.95 1 Yes No 0 8 0 1
R:R:I161 R:R:W157 3.52 1 No Yes 7 8 2 1
R:R:T192 R:R:W157 4.85 0 No Yes 8 8 2 1
L:L:?1 R:R:W157 3.93 1 Yes Yes 0 8 0 1
R:R:I161 R:R:I180 5.89 1 No Yes 7 7 2 2
R:R:I180 R:R:L183 11.42 1 Yes Yes 7 7 2 2
R:R:L183 R:R:T192 4.42 1 Yes No 7 8 2 2
R:R:F374 R:R:W378 15.03 1 Yes Yes 9 8 2 1
R:R:F374 R:R:N410 4.83 1 Yes Yes 9 9 2 2
R:R:T377 R:R:W378 3.64 1 Yes Yes 8 8 2 1
R:R:N410 R:R:T377 8.77 1 Yes Yes 9 8 2 2
R:R:C407 R:R:W378 15.67 0 No Yes 8 8 2 1
R:R:N410 R:R:W378 6.78 1 Yes Yes 9 8 2 1
L:L:?1 R:R:W378 10.49 1 Yes Yes 0 8 0 1
R:R:N382 R:R:Y381 6.98 1 Yes Yes 8 8 2 1
R:R:V385 R:R:Y381 7.57 0 No Yes 8 8 2 1
R:R:W400 R:R:Y381 3.86 1 Yes Yes 7 8 2 1
R:R:Y381 R:R:Y404 3.97 1 Yes No 8 7 1 1
R:R:C407 R:R:Y381 4.03 0 No Yes 8 8 2 1
L:L:?1 R:R:Y381 9.45 1 Yes Yes 0 8 0 1
L:L:?1 R:R:Y404 12.15 1 Yes No 0 7 0 1
L:L:?1 R:R:Y408 6.75 1 Yes Yes 0 8 0 1
L:L:?1 R:R:T196 3.39 1 Yes No 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 Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.21
Average Nodes In Shell39.00
Average Hubs In Shell19.00
Average Links In Shell59.00
Average Links Mediated by Hubs In Shell58.00
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 Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.21
Average Nodes In Shell39.00
Average Hubs In Shell19.00
Average Links In Shell59.00
Average Links Mediated by Hubs In Shell58.00

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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 🔍)