CodeZOT
NameZotepine
Synonyms
  • Zotepina
  • Zotepine
Identifier2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-~{N},~{N}-dimethyl-ethanamine
FormulaC18 H18 Cl N O S
Molecular Weight331.86
SMILESCN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
PubChem5736
Formal Charge0
Total Atoms40
Total Chiral Atoms0
Total Bonds42
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
6A94 A Amine 5-Hydroxytryptamine 5-HT2A Homo sapiens Zotepine - - 2.9 2019-02-13 10.1038/s41594-018-0180-z

A 2D representation of the interactions of ZOT in 6A94
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:D155 R:R:V127 11.69 0 No No 8 8 1 2
R:R:I152 R:R:I210 4.42 2 Yes Yes 5 6 2 2
R:R:I152 R:R:L229 5.71 2 Yes No 5 4 2 1
R:R:D155 R:R:Y370 6.9 0 No Yes 8 7 1 2
L:L:?1 R:R:D155 15.02 1 Yes No 0 8 0 1
R:R:S207 R:R:V156 4.85 0 No No 7 6 2 1
R:R:I210 R:R:V156 4.61 0 Yes No 6 6 2 1
L:L:?1 R:R:V156 5.15 1 Yes No 0 6 0 1
L:L:?1 R:R:S159 14.54 1 Yes No 0 7 0 1
R:R:S242 R:R:T160 9.59 0 No No 6 7 1 2
R:R:F332 R:R:K162 11.17 1 Yes No 9 9 1 2
R:R:F332 R:R:I163 5.02 1 Yes No 9 8 1 2
R:R:F332 R:R:L166 3.65 1 Yes No 9 8 1 2
L:L:?1 R:R:L229 3.83 1 Yes No 0 4 0 1
R:R:F340 R:R:S239 5.28 1 Yes No 7 6 1 2
L:L:?1 R:R:S242 4.15 1 Yes No 0 6 0 1
R:R:F243 R:R:F340 27.86 0 No Yes 8 7 2 1
R:R:F332 R:R:W336 11.02 1 Yes Yes 9 8 1 1
L:L:?1 R:R:F332 3.37 1 Yes Yes 0 9 0 1
R:R:F339 R:R:W336 8.02 1 Yes Yes 7 8 1 1
R:R:F340 R:R:W336 6.01 1 Yes Yes 7 8 1 1
R:R:G369 R:R:W336 12.67 1 No Yes 7 8 2 1
R:R:W336 R:R:Y370 3.86 1 Yes Yes 8 7 1 2
R:R:S372 R:R:W336 4.94 1 No Yes 9 8 2 1
L:L:?1 R:R:W336 16.54 1 Yes Yes 0 8 0 1
R:R:F339 R:R:F340 8.57 1 Yes Yes 7 7 1 1
R:R:F339 R:R:N343 4.83 1 Yes No 7 7 1 2
R:R:F339 R:R:V366 5.24 1 Yes No 7 6 1 2
L:L:?1 R:R:F339 10.95 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F340 23.59 1 Yes Yes 0 7 0 1
R:R:V366 R:R:Y370 6.31 0 No Yes 6 7 2 2
R:R:G369 R:R:S372 3.71 1 No No 7 9 2 2
L:L:?1 R:R:G238 2.37 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.95
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell29.00
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 Hub4.00
Average Interaction Strength9.95
Average Nodes In Shell26.00
Average Hubs In Shell8.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell29.00

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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 🔍)