CodeSIP
NameSpiperone
SynonymsSpiperone
Identifier8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
FormulaC23 H26 F N3 O2
Molecular Weight395.47
SMILESc1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
PubChem5265
Formal Charge0
Total Atoms55
Total Chiral Atoms0
Total Bonds58
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
7DFP A Amine Dopamine D2 Homo sapiens Spiperone - - 3.1 2020-12-30 10.1038/s41467-020-20221-0

A 2D representation of the interactions of SIP in 7DFP
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 Yes No 8 8 1 2
R:R:V91 R:R:W413 6.13 0 No Yes 8 8 1 2
L:L:?1 R:R:V91 10.14 1 Yes No 0 8 0 1
R:R:L94 R:R:W100 5.69 1 No Yes 7 9 2 2
R:R:C182 R:R:L94 3.17 1 Yes No 9 7 1 2
R:R:C107 R:R:W100 6.53 1 No Yes 9 9 2 2
R:R:C182 R:R:W100 14.37 1 Yes Yes 9 9 1 2
R:R:C107 R:R:C182 7.28 1 No Yes 9 9 2 1
R:R:I184 R:R:V111 3.07 0 No No 7 6 2 1
L:L:?1 R:R:V111 6.08 1 Yes No 0 6 0 1
R:R:C118 R:R:D114 3.11 1 No Yes 8 8 1 1
R:R:D114 R:R:Y416 4.6 1 Yes Yes 8 8 1 1
L:L:?1 R:R:D114 21.24 1 Yes Yes 0 8 0 1
R:R:S167 R:R:V115 4.85 0 No No 9 8 2 1
R:R:L170 R:R:V115 2.98 0 Yes No 8 8 2 1
L:L:?1 R:R:V115 3.04 1 Yes No 0 8 0 1
L:L:?1 R:R:C118 15.12 1 Yes No 0 8 0 1
R:R:F198 R:R:I122 5.02 1 Yes Yes 9 9 1 1
R:R:I122 R:R:P201 10.16 1 Yes No 9 9 1 2
R:R:F382 R:R:I122 7.54 1 Yes Yes 9 9 2 1
L:L:?1 R:R:I122 3.89 1 Yes Yes 0 9 0 1
R:R:E181 R:R:I183 8.2 0 No No 4 5 2 1
L:L:?1 R:R:C182 3.24 1 Yes Yes 0 9 0 1
R:R:F198 R:R:Y199 6.19 1 Yes No 9 7 1 2
R:R:F198 R:R:F390 28.94 1 Yes Yes 9 8 1 1
L:L:?1 R:R:F198 4.14 1 Yes Yes 0 9 0 1
R:R:F382 R:R:W386 8.02 1 Yes Yes 9 9 2 1
R:R:F389 R:R:W386 6.01 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 3.86 1 Yes Yes 9 8 1 1
L:L:?1 R:R:W386 13.95 1 Yes Yes 0 9 0 1
R:R:F389 R:R:F390 3.22 1 Yes Yes 8 8 1 1
R:R:F389 R:R:H393 12.44 1 Yes No 8 8 1 2
R:R:F389 R:R:T412 6.49 1 Yes No 8 8 1 1
L:L:?1 R:R:F389 4.97 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F390 9.12 1 Yes Yes 0 8 0 1
L:L:?1 R:R:T412 4.01 1 Yes No 0 8 0 1
R:R:W413 R:R:Y416 8.68 0 Yes Yes 8 8 2 1
L:L:?1 R:R:Y416 4.79 1 Yes Yes 0 8 0 1
R:R:F390 R:R:S194 2.64 1 Yes No 8 8 1 2
L:L:?1 R:R:I183 1.94 1 Yes No 0 5 0 1
R:R:A185 R:R:I183 1.62 0 No No 7 5 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.55
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell38.00
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 Strength7.55
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)