CodeKKF
Name8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Synonyms
Identifier8-[(~{E})-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
FormulaC23 H21 Cl3 N2 O3
Molecular Weight479.783
SMILESc1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl
PubChem126843232
Formal Charge0
Total Atoms52
Total Chiral Atoms0
Total Bonds55
Total Aromatic Bonds12
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
7TUY A Orphan A orphans GPR183 Homo sapiens GSK682753A - - 2.98 2022-04-13 10.1016/j.str.2022.04.006

A 2D representation of the interactions of KKF in 7TUY
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:Y184 R:R:Y24 7.94 1 Yes Yes 4 2 1 2
R:R:H291 R:R:V33 4.15 1 Yes No 4 5 1 2
R:R:M34 R:R:P35 8.39 1 Yes No 5 4 1 2
R:R:M34 R:R:Y90 3.59 1 Yes Yes 5 5 1 1
R:R:H291 R:R:M34 3.94 1 Yes Yes 4 5 1 1
L:L:?1 R:R:M34 12.97 1 Yes Yes 0 5 0 1
R:R:H37 R:R:Y38 4.36 4 Yes Yes 5 7 2 1
R:R:C295 R:R:H37 13.27 0 No Yes 5 5 2 2
R:R:L84 R:R:Y38 5.86 0 No Yes 7 7 2 1
R:R:N298 R:R:Y38 12.79 0 No Yes 7 7 2 1
L:L:?1 R:R:Y38 9.93 1 Yes Yes 0 7 0 1
R:R:F80 R:R:R87 4.28 0 Yes Yes 7 6 2 1
R:R:F80 R:R:N298 12.08 0 Yes No 7 7 2 2
R:R:L84 R:R:R87 9.72 0 No Yes 7 6 2 1
R:R:R87 R:R:T107 9.06 0 Yes No 6 5 1 2
L:L:?1 R:R:R87 15.44 1 Yes Yes 0 6 0 1
R:R:T180 R:R:Y90 11.24 0 No Yes 2 5 2 1
R:R:Y184 R:R:Y90 7.94 1 Yes Yes 4 5 1 1
L:L:?1 R:R:Y90 10.76 1 Yes Yes 0 5 0 1
R:R:F111 R:R:Y112 9.28 1 Yes Yes 5 4 1 1
R:R:F111 R:R:M297 3.73 1 Yes Yes 5 8 1 2
R:R:F111 R:R:N298 8.46 1 Yes No 5 7 1 2
L:L:?1 R:R:F111 17.19 1 Yes Yes 0 5 0 1
R:R:Y112 R:R:Y116 9.93 1 Yes Yes 4 6 1 2
R:R:T163 R:R:Y112 4.99 0 No Yes 7 4 2 1
R:R:L166 R:R:Y112 5.86 0 No Yes 4 4 2 1
L:L:?1 R:R:Y112 6.62 1 Yes Yes 0 4 0 1
R:R:E183 R:R:M171 5.41 0 No No 4 4 1 2
R:R:P185 R:R:Y184 4.17 0 No Yes 5 4 2 1
R:R:Q287 R:R:Y184 10.15 0 No Yes 4 4 2 1
L:L:?1 R:R:Y184 9.1 1 Yes Yes 0 4 0 1
R:R:H261 R:R:Y260 7.62 1 Yes Yes 8 6 2 1
R:R:I264 R:R:Y260 9.67 1 No Yes 5 6 1 1
R:R:T293 R:R:Y260 6.24 0 No Yes 7 6 2 1
R:R:M297 R:R:Y260 9.58 1 Yes Yes 8 6 2 1
L:L:?1 R:R:Y260 12.41 1 Yes Yes 0 6 0 1
R:R:H261 R:R:M297 3.94 1 Yes Yes 8 8 2 2
R:R:I264 R:R:L290 4.28 1 No No 5 5 1 2
L:L:?1 R:R:I264 6.04 1 Yes No 0 5 0 1
R:R:H291 R:R:I288 3.98 1 Yes No 4 3 1 2
R:R:F292 R:R:I288 8.79 1 No No 5 3 2 2
R:R:F292 R:R:H291 7.92 1 No Yes 5 4 2 1
R:R:C295 R:R:H291 4.42 0 No Yes 5 4 2 1
L:L:?1 R:R:H291 3.63 1 Yes Yes 0 4 0 1
L:L:?1 R:R:V294 9.46 1 Yes No 0 5 0 1
R:R:L197 R:R:P194 3.28 0 No No 5 3 1 2
R:R:A108 R:R:E183 3.02 0 No No 5 4 2 1
L:L:?1 R:R:E183 2.81 1 Yes No 0 4 0 1
L:L:?1 R:R:L197 1.95 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub9.00
Average Interaction Strength9.10
Average Nodes In Shell38.00
Average Hubs In Shell16.00
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell44.00
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 Links13.00
Average Number Of Links With An Hub9.00
Average Interaction Strength9.10
Average Nodes In Shell38.00
Average Hubs In Shell16.00
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell44.00

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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 🔍)