CodeQK2
Name7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one
Synonyms
Identifier7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one
FormulaC18 H24 F N3 O2
Molecular Weight333.4
SMILESCc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4
PubChem16038386
Formal Charge0
Total Atoms48
Total Chiral Atoms0
Total Bonds51
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
6ZG9 A Amine Acetylcholine (muscarinic) M1 Homo sapiens GSK1034702 - - 2.5 2021-10-06 10.1016/j.cell.2021.11.001

A 2D representation of the interactions of QK2 in 6ZG9
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 7.63 1 No Yes 8 8 2 1
R:R:M79 R:R:W405 10.47 1 Yes Yes 8 8 2 2
R:R:M79 R:R:Y408 4.79 1 Yes Yes 8 8 2 1
R:R:L81 R:R:W91 6.83 0 No Yes 7 9 2 1
R:R:I86 R:R:Y82 12.09 0 No Yes 7 7 2 1
R:R:Y404 R:R:Y82 10.92 1 No Yes 7 7 1 1
R:R:Y408 R:R:Y82 5.96 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y82 20.74 1 Yes Yes 0 7 0 1
R:R:W91 R:R:Y85 4.82 1 Yes No 9 7 1 1
R:R:C178 R:R:Y85 4.03 1 Yes No 9 7 1 1
L:L:?1 R:R:Y85 10.37 1 Yes No 0 7 0 1
R:R:L93 R:R:W91 9.11 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 4.65 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 1
R:R:I180 R:R:L102 5.71 1 No No 7 7 2 1
L:L:?1 R:R:L102 9.42 1 Yes No 0 7 0 1
R:R:D105 R:R:Y408 10.34 1 No Yes 9 8 1 1
L:L:?1 R:R:D105 19.4 1 Yes No 0 9 0 1
L:L:?1 R:R:S109 5.11 1 Yes No 0 8 0 1
L:L:?1 R:R:C178 5.4 1 Yes Yes 0 9 0 1
R:R:F374 R:R:W378 15.03 1 Yes Yes 9 8 2 1
R:R:F374 R:R:N410 7.25 1 Yes Yes 9 9 2 2
R:R:T377 R:R:W378 4.85 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 16.98 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 6.2 1 Yes Yes 0 8 0 1
R:R:Y381 R:R:Y404 6.95 0 Yes No 8 7 2 1
R:R:C407 R:R:Y381 4.03 0 No Yes 8 8 2 2
L:L:?1 R:R:Y404 14.36 1 Yes No 0 7 0 1
R:R:W405 R:R:Y408 4.82 1 Yes Yes 8 8 2 1
L:L:?1 R:R:Y408 5.58 1 Yes Yes 0 8 0 1
R:R:G94 R:R:W91 2.81 0 No Yes 7 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 Hub5.00
Average Interaction Strength10.12
Average Nodes In Shell27.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell37.00
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 Hub5.00
Average Interaction Strength10.12
Average Nodes In Shell27.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell37.00

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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 🔍)