CodeY5R
NameDesloratadine
Synonyms13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene
Identifier13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene
FormulaC19 H19 Cl N2
Molecular Weight310.821
SMILESc1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl
PubChem124087
Formal Charge0
Total Atoms41
Total Chiral Atoms0
Total Bonds44
Total Aromatic Bonds12
Networks1
 missing image

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
8X64 A Amine Histamine H1 Homo sapiens Desloratadine - - 3.4 2024-01-17  10.1038/s41467-023-44477-4

A 2D representation of the interactions of Y5R in 8X64
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:V76 R:R:Y458 3.79 0 Yes Yes 9 9 2 1
R:R:D107 R:R:V80 8.76 1 No No 9 9 1 2
R:R:V80 R:R:Y458 11.36 1 No Yes 9 9 2 1
R:R:D107 R:R:Y458 8.05 1 No Yes 9 9 1 1
L:L:?1 R:R:D107 9.48 1 Yes No 0 9 0 1
R:R:W158 R:R:Y108 7.72 1 Yes Yes 8 9 2 1
R:R:I162 R:R:Y108 7.25 0 Yes Yes 9 9 2 1
R:R:T182 R:R:Y108 2.5 0 No Yes 9 9 2 1
L:L:?1 R:R:Y108 33.66 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S111 6.99 1 Yes No 0 9 0 1
R:R:F116 R:R:T112 5.19 1 Yes Yes 8 9 2 2
R:R:T112 R:R:W158 6.06 1 Yes Yes 9 8 2 2
R:R:N198 R:R:T112 4.39 1 No Yes 9 9 1 2
R:R:F116 R:R:I115 2.51 1 Yes Yes 8 9 2 1
R:R:I115 R:R:P202 6.77 0 Yes No 9 9 1 2
R:R:F424 R:R:I115 2.51 10 Yes Yes 9 9 2 1
L:L:?1 R:R:I115 3.32 1 Yes Yes 0 9 0 1
R:R:F116 R:R:N198 2.42 1 Yes No 8 9 2 1
R:R:F190 R:R:W158 4.01 1 Yes Yes 9 8 2 2
R:R:T194 R:R:W158 8.49 1 No Yes 8 8 1 2
R:R:F190 R:R:T194 2.59 1 Yes No 9 8 2 1
R:R:F435 R:R:K191 12.41 1 Yes No 8 9 1 2
L:L:?1 R:R:T194 3.43 1 Yes No 0 8 0 1
R:R:A195 R:R:F435 2.77 0 No Yes 9 8 2 1
L:L:?1 R:R:N198 8.52 1 Yes No 0 9 0 1
R:R:F199 R:R:F432 38.58 0 Yes No 9 9 2 1
R:R:F424 R:R:W428 7.02 10 Yes No 9 9 2 1
R:R:G457 R:R:W428 5.63 0 No No 9 9 2 1
L:L:?1 R:R:W428 11.49 1 Yes No 0 9 0 1
R:R:F432 R:R:Y431 3.09 1 No Yes 9 9 1 1
R:R:F435 R:R:Y431 4.13 1 Yes Yes 8 9 1 1
R:R:H450 R:R:Y431 10.89 1 No Yes 7 9 2 1
R:R:T453 R:R:Y431 8.74 0 No Yes 9 9 2 1
R:R:I454 R:R:Y431 4.84 1 No Yes 8 9 2 1
L:L:?1 R:R:Y431 14.55 1 Yes Yes 0 9 0 1
L:L:?1 R:R:F432 8.51 1 Yes No 0 9 0 1
L:L:?1 R:R:F435 7.56 1 Yes Yes 0 8 0 1
R:R:H450 R:R:I454 5.3 1 No No 7 8 2 2
R:R:I454 R:R:Y458 3.63 1 No Yes 8 9 2 1
R:R:W455 R:R:Y458 7.72 1 Yes Yes 9 9 2 1
L:L:?1 R:R:Y458 3.64 1 Yes Yes 0 9 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.10
Average Nodes In Shell30.00
Average Hubs In Shell15.00
Average Links In Shell41.00
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 Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.10
Average Nodes In Shell30.00
Average Hubs In Shell15.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell38.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)