CodeD7V
NameCidoxepin
Synonyms
  • Cidoxepina
  • (Z)-Doxepin
  • Cidoxepin
  • Cidoxepinum
  • Cidoxepin hydrochloride
Identifier(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-propan-1-amine
FormulaC19 H21 N O
Molecular Weight279.376
SMILESCN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
PubChem667468
Formal Charge0
Total Atoms42
Total Chiral Atoms0
Total Bonds44
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
3RZE A Amine Histamine H1 Homo sapiens Cidoxepin - - 3.1 2011-06-15 10.1038/nature10236

A 2D representation of the interactions of D7V in 3RZE
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:D107 R:R:V80 5.84 0 No No 9 9 1 2
R:R:D107 R:R:Y458 4.6 0 No Yes 9 9 1 2
L:L:?1 R:R:D107 13.01 1 Yes No 0 9 0 1
R:R:W158 R:R:Y108 16.4 1 Yes No 8 9 1 1
R:R:T182 R:R:Y108 6.24 0 No No 9 9 2 1
L:L:?1 R:R:Y108 17.23 1 Yes No 0 9 0 1
R:R:S111 R:R:W428 6.18 1 No Yes 9 9 1 1
L:L:?1 R:R:S111 9.59 1 Yes No 0 9 0 1
R:R:F116 R:R:T112 5.19 1 Yes Yes 8 9 2 1
R:R:S155 R:R:T112 6.4 1 No Yes 9 9 2 1
R:R:T112 R:R:W158 10.92 1 Yes Yes 9 8 1 1
R:R:N198 R:R:T112 8.77 1 Yes Yes 9 9 1 1
L:L:?1 R:R:T112 5.65 1 Yes Yes 0 9 0 1
R:R:F116 R:R:S155 5.28 1 Yes No 8 9 2 2
R:R:T194 R:R:W158 7.28 0 No Yes 8 8 2 1
R:R:N198 R:R:W158 13.56 1 Yes Yes 9 8 1 1
L:L:?1 R:R:W158 7.28 1 Yes Yes 0 8 0 1
R:R:F435 R:R:K191 11.17 1 No No 8 9 1 2
R:R:I197 R:R:N198 4.25 0 No Yes 5 9 2 1
L:L:?1 R:R:N198 5.26 1 Yes Yes 0 9 0 1
R:R:F199 R:R:Y200 7.22 1 No Yes 9 8 2 2
R:R:F199 R:R:F432 32.15 1 No Yes 9 9 2 1
R:R:F432 R:R:Y200 4.13 1 Yes Yes 9 8 1 2
R:R:F424 R:R:W428 9.02 0 No Yes 9 9 2 1
R:R:W428 R:R:Y431 6.75 1 Yes Yes 9 9 1 1
R:R:F432 R:R:W428 4.01 1 Yes Yes 9 9 1 1
R:R:G457 R:R:W428 12.67 0 No Yes 9 9 2 1
L:L:?1 R:R:W428 8 1 Yes Yes 0 9 0 1
R:R:F432 R:R:Y431 7.22 1 Yes Yes 9 9 1 1
R:R:F435 R:R:Y431 10.32 1 No Yes 8 9 1 1
R:R:T453 R:R:Y431 6.24 0 No Yes 9 9 2 1
L:L:?1 R:R:Y431 11.23 1 Yes Yes 0 9 0 1
L:L:?1 R:R:F432 18.68 1 Yes Yes 0 9 0 1
L:L:?1 R:R:F435 5.45 1 Yes No 0 8 0 1
R:R:A195 R:R:F432 2.77 0 No Yes 9 9 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.14
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell32.00
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 Hub6.00
Average Interaction Strength10.14
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell32.00

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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 🔍)