CodeY5E
NameMepyramine
SynonymsMepyramine tannate
Identifier~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine
FormulaC17 H23 N3 O
Molecular Weight285.384
SMILESCN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2
PubChem4992
Formal Charge0
Total Atoms44
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
8X63 A Amine Histamine H1 Homo sapiens Mepyramine - - 3.2 2024-01-17  10.1038/s41467-023-44477-4

A 2D representation of the interactions of Y5E in 8X63
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 7.3 1 Yes Yes 9 9 1 2
R:R:V80 R:R:Y458 7.57 1 Yes Yes 9 9 2 2
R:R:D107 R:R:Y108 3.45 1 Yes Yes 9 9 1 1
R:R:D107 R:R:Y458 5.75 1 Yes Yes 9 9 1 2
L:L:?1 R:R:D107 7.46 1 Yes Yes 0 9 0 1
R:R:W158 R:R:Y108 6.75 1 Yes Yes 8 9 1 1
R:R:I162 R:R:Y108 3.63 1 No Yes 9 9 2 1
R:R:F184 R:R:Y108 5.16 1 Yes Yes 9 9 2 1
L:L:?1 R:R:Y108 16.11 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S111 12.38 1 Yes No 0 9 0 1
R:R:T112 R:R:W158 3.64 1 Yes Yes 9 8 2 1
R:R:N198 R:R:T112 4.39 1 No Yes 9 9 1 2
R:R:I115 R:R:V118 3.07 1 Yes No 9 9 1 2
R:R:I115 R:R:P202 5.08 1 Yes No 9 9 1 2
R:R:F424 R:R:I115 11.3 1 Yes Yes 9 9 2 1
L:L:?1 R:R:I115 6.87 1 Yes Yes 0 9 0 1
R:R:F424 R:R:V118 3.93 1 Yes No 9 9 2 2
R:R:T194 R:R:W158 7.28 0 No Yes 8 8 2 1
R:R:N198 R:R:W158 10.17 1 No Yes 9 8 1 1
L:L:?1 R:R:W158 4.7 1 Yes Yes 0 8 0 1
R:R:F184 R:R:I162 7.54 1 Yes No 9 9 2 2
R:R:A195 R:R:F432 2.77 0 No No 9 9 2 1
L:L:?1 R:R:N198 9.44 1 Yes No 0 9 0 1
R:R:F199 R:R:W428 3.01 0 No Yes 9 9 2 1
R:R:F199 R:R:F432 22.51 0 No No 9 9 2 1
R:R:F424 R:R:W428 3.01 1 Yes Yes 9 9 2 1
R:R:F424 R:R:N460 4.83 1 Yes Yes 9 9 2 2
R:R:W428 R:R:Y431 7.72 1 Yes Yes 9 9 1 1
R:R:G457 R:R:W428 9.85 0 No Yes 9 9 2 1
R:R:N460 R:R:W428 7.91 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W428 14.09 1 Yes Yes 0 9 0 1
R:R:F435 R:R:Y431 14.44 1 No Yes 8 9 1 1
R:R:H450 R:R:Y431 6.53 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 9.67 1 Yes Yes 8 9 1 1
L:L:?1 R:R:Y431 12.89 1 Yes Yes 0 9 0 1
L:L:?1 R:R:F432 13.39 1 Yes No 0 9 0 1
L:L:?1 R:R:F435 9.21 1 Yes No 0 8 0 1
R:R:H450 R:R:I454 5.3 1 No Yes 7 8 2 1
R:R:I454 R:R:Y458 6.04 1 Yes Yes 8 9 1 2
L:L:?1 R:R:I454 3.92 1 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.04
Average Nodes In Shell27.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00
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 Hub7.00
Average Interaction Strength10.04
Average Nodes In Shell27.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00

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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 🔍)