CodeVBU
NameClozapine
SynonymsClozapine
Identifier3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine
FormulaC18 H19 Cl N4
Molecular Weight326.823
SMILESCN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
PubChem135398737
Formal Charge0
Total Atoms42
Total Chiral Atoms0
Total Bonds45
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
8JXV A Amine Histamine H4 Homo Sapiens Clozapine - Gi1/Beta1/Gamma2 3.21 2024-03-20 10.1038/s41467-024-46840-5

A 2D representation of the interactions of VBU in 8JXV
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:D94 R:R:S68 8.83 1 No No 8 8 1 2
R:R:I69 R:R:W348 5.87 0 Yes Yes 8 8 2 1
R:R:F344 R:R:Y72 8.25 1 Yes Yes 6 7 1 2
R:R:W348 R:R:Y72 2.89 1 Yes Yes 8 7 1 2
R:R:D94 R:R:W348 11.17 1 No Yes 8 8 1 1
L:L:?1 R:R:D94 4.6 1 Yes No 0 8 0 1
R:R:N147 R:R:Y95 12.79 1 No Yes 8 8 1 1
R:R:I151 R:R:Y95 7.25 1 Yes Yes 7 8 2 1
R:R:P166 R:R:Y95 4.17 1 Yes Yes 7 8 2 1
L:L:?1 R:R:Y95 16.7 1 Yes Yes 0 8 0 1
L:L:?1 R:R:C98 3.23 1 Yes No 0 8 0 1
R:R:A143 R:R:T99 3.36 0 No Yes 8 8 2 1
R:R:N147 R:R:T99 5.85 1 No Yes 8 8 1 1
R:R:E182 R:R:T99 4.23 1 Yes Yes 8 8 1 1
L:L:?1 R:R:T99 5 1 Yes Yes 0 8 0 1
R:R:E182 R:R:V102 8.56 1 Yes No 8 8 1 2
R:R:V102 R:R:W316 7.36 1 No Yes 8 9 2 2
L:L:?1 R:R:N147 7.45 1 Yes No 0 8 0 1
R:R:I151 R:R:P166 3.39 1 Yes Yes 7 7 2 2
R:R:E165 R:R:P166 7.86 1 No Yes 4 7 2 2
R:R:E165 R:R:F169 5.83 1 No Yes 4 6 2 1
R:R:F168 R:R:P166 10.11 1 Yes Yes 6 7 2 2
R:R:F168 R:R:F169 3.22 1 Yes Yes 6 6 2 1
R:R:F168 R:R:L175 4.87 1 Yes No 6 7 2 2
R:R:F169 R:R:L175 6.09 1 Yes No 6 7 1 2
L:L:?1 R:R:F169 4.96 1 Yes Yes 0 6 0 1
L:L:?1 R:R:T178 6 1 Yes No 0 8 0 1
R:R:E182 R:R:W316 11.99 1 Yes Yes 8 9 1 2
L:L:?1 R:R:E182 18.88 1 Yes Yes 0 8 0 1
R:R:Q347 R:R:W316 15.33 1 No Yes 8 9 1 2
R:R:T323 R:R:Y319 8.74 1 No Yes 7 7 1 1
R:R:Y319 R:R:Y340 3.97 1 Yes Yes 7 5 1 2
R:R:A343 R:R:Y319 4 0 No Yes 5 7 2 1
R:R:F344 R:R:Y319 11.35 1 Yes Yes 6 7 1 1
R:R:Q347 R:R:Y319 7.89 1 No Yes 8 7 1 1
L:L:?1 R:R:Y319 19.09 1 Yes Yes 0 7 0 1
R:R:T323 R:R:Y340 6.24 1 No Yes 7 5 1 2
L:L:?1 R:R:T323 5 1 Yes No 0 7 0 1
R:R:F344 R:R:W348 4.01 1 Yes Yes 6 8 1 1
L:L:?1 R:R:F344 9.09 1 Yes Yes 0 6 0 1
R:R:W345 R:R:W348 12.18 0 No Yes 8 8 2 1
L:L:?1 R:R:Q347 8.13 1 Yes No 0 8 0 1
L:L:?1 R:R:W348 10.04 1 Yes Yes 0 8 0 1
R:R:T99 R:R:Y103 2.5 1 Yes No 8 7 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.09
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell43.00
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 Hub7.00
Average Interaction Strength9.09
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell43.00

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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 🔍)