CodeGMJ
NameHaloperidol
Synonyms4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone
Identifier4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
FormulaC21 H23 Cl F N O2
Molecular Weight375.864
SMILESc1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
PubChem3559
Formal Charge0
Total Atoms49
Total Chiral Atoms0
Total Bonds51
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
6LUQ A Amine Dopamine D2 Homo sapiens Haloperidol - - 3.1 2020-03-04 10.1038/s41467-020-14884-y

A 2D representation of the interactions of GMJ in 6LUQ
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:D114 R:R:V87 7.3 1 No No 8 8 1 2
R:R:M88 R:R:Y416 5.99 0 No Yes 9 8 2 1
R:R:F110 R:R:W90 7.02 0 No No 7 6 1 2
R:R:V91 R:R:Y416 5.05 0 No Yes 8 8 2 1
R:R:L94 R:R:W100 3.42 0 No Yes 7 9 1 2
L:L:?1180 R:R:L94 5.01 1 Yes No 0 7 0 1
R:R:F110 R:R:W100 8.02 0 No Yes 7 9 1 2
L:L:?1180 R:R:F110 6.18 1 Yes No 0 7 0 1
R:R:D114 R:R:Y416 8.05 1 No Yes 8 8 1 1
L:L:?1180 R:R:D114 17.7 1 Yes No 0 8 0 1
L:L:?1180 R:R:C118 12.65 1 Yes No 0 8 0 1
R:R:F382 R:R:L125 7.31 1 Yes No 9 8 1 2
R:R:C182 R:R:I184 4.91 0 No No 9 7 2 1
R:R:F189 R:R:I184 3.77 0 No No 8 7 2 1
L:L:?1180 R:R:I184 11.37 1 Yes No 0 7 0 1
R:R:F390 R:R:S194 5.28 1 Yes No 8 8 1 2
R:R:F198 R:R:Y199 7.22 1 Yes No 9 7 1 2
R:R:F198 R:R:F390 30.01 1 Yes Yes 9 8 1 1
L:L:?1180 R:R:F198 7.06 1 Yes Yes 0 9 0 1
R:R:F382 R:R:W386 9.02 1 Yes Yes 9 9 1 1
R:R:F382 R:R:N418 10.87 1 Yes Yes 9 9 1 2
L:L:?1180 R:R:F382 3.53 1 Yes Yes 0 9 0 1
R:R:F389 R:R:W386 5.01 1 Yes Yes 8 9 1 1
R:R:F390 R:R:W386 4.01 1 Yes Yes 8 9 1 1
R:R:G415 R:R:W386 12.67 0 No Yes 8 9 2 1
R:R:W386 R:R:Y416 5.79 1 Yes Yes 9 8 1 1
L:L:?1180 R:R:W386 22.28 1 Yes Yes 0 9 0 1
R:R:F389 R:R:F390 9.65 1 Yes Yes 8 8 1 1
R:R:F389 R:R:H393 9.05 1 Yes Yes 8 8 1 2
R:R:F389 R:R:Y408 4.13 1 Yes Yes 8 5 1 1
L:L:?1180 R:R:F389 8.82 1 Yes Yes 0 8 0 1
L:L:?1180 R:R:F390 11.47 1 Yes Yes 0 8 0 1
R:R:H393 R:R:Y408 8.71 1 Yes Yes 8 5 2 1
R:R:T412 R:R:Y408 3.75 0 No Yes 8 5 2 1
L:L:?1180 R:R:Y408 3.4 1 Yes Yes 0 5 0 1
R:R:T412 R:R:Y416 3.75 0 No Yes 8 8 2 1
L:L:?1180 R:R:Y416 5.94 1 Yes Yes 0 8 0 1
R:R:F198 R:R:I383 2.51 1 Yes No 9 7 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.62
Average Nodes In Shell28.00
Average Hubs In Shell11.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell34.00
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 Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.62
Average Nodes In Shell28.00
Average Hubs In Shell11.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)