CodeB40
NameMetamfetamine
SynonymsMetamfetaminum
Identifier(2S)-N-methyl-1-phenyl-propan-2-amine
FormulaC10 H15 N
Molecular Weight149.233
SMILESC[C@@H](Cc1ccccc1)NC
PubChem10836
Formal Charge0
Total Atoms26
Total Chiral Atoms1
Total Bonds26
Total Aromatic Bonds6
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
8W87 A Amine Trace amine receptors TA1 Homo Sapiens METH - chim(NtGi1L-Gs)/Beta1/Gamma2 2.8 2023-11-22 10.1038/s41586-023-06775-1

A 2D representation of the interactions of B40 in 8W87
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:H99 R:R:V76 9.69 2 Yes Yes 5 7 2 2
R:R:D103 R:R:V76 8.76 2 Yes Yes 6 7 1 2
R:R:V76 R:R:Y294 3.79 2 Yes Yes 7 7 2 1
R:R:M77 R:R:Y294 9.58 0 Yes Yes 7 7 2 1
R:R:H99 R:R:S80 4.18 2 Yes No 5 6 2 2
R:R:S80 R:R:Y294 7.63 0 No Yes 6 7 2 1
R:R:D103 R:R:H99 3.78 2 Yes Yes 6 5 1 2
R:R:D103 R:R:Y294 6.9 2 Yes Yes 6 7 1 1
L:L:?1 R:R:D103 9.87 2 Yes Yes 0 6 0 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
L:L:?1 R:R:I104 15.58 2 Yes No 0 4 0 1
R:R:S107 R:R:W264 4.94 2 No Yes 6 8 1 1
L:L:?1 R:R:S107 10.93 2 Yes No 0 6 0 1
R:R:S108 R:R:S198 6.52 0 No No 5 6 2 1
R:R:I111 R:R:W264 10.57 0 No Yes 8 8 2 1
R:R:F154 R:R:M158 6.22 0 No No 4 5 2 2
R:R:F154 R:R:T194 5.19 0 No No 4 5 2 1
R:R:F186 R:R:M158 3.73 2 Yes No 1 5 1 2
R:R:F186 R:R:V184 5.24 2 Yes No 1 4 1 2
R:R:F186 R:R:S190 6.61 2 Yes No 1 6 1 2
R:R:F186 R:R:T194 11.67 2 Yes No 1 5 1 1
L:L:?1 R:R:F186 4.43 2 Yes Yes 0 1 0 1
L:L:?1 R:R:T194 4.02 2 Yes No 0 5 0 1
R:R:F195 R:R:F199 5.36 2 Yes Yes 5 8 2 2
R:R:F195 R:R:F268 4.29 2 Yes Yes 5 7 2 1
L:L:?1 R:R:S198 5.46 2 Yes No 0 6 0 1
R:R:F199 R:R:F260 5.36 2 Yes Yes 8 9 2 2
R:R:F199 R:R:F268 22.51 2 Yes Yes 8 7 2 1
R:R:F260 R:R:W264 4.01 0 Yes Yes 9 8 2 1
R:R:F267 R:R:W264 5.01 2 Yes Yes 5 8 1 1
R:R:F268 R:R:W264 9.02 2 Yes Yes 7 8 1 1
R:R:G293 R:R:W264 8.44 0 No Yes 7 8 2 1
R:R:N296 R:R:W264 9.04 0 No Yes 9 8 2 1
L:L:?1 R:R:W264 4.14 2 Yes Yes 0 8 0 1
R:R:F267 R:R:F268 6.43 2 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 6.49 2 Yes No 5 5 1 2
R:R:F267 R:R:L289 3.65 2 Yes No 5 5 1 2
L:L:?1 R:R:F267 13.29 2 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 7.75 2 Yes Yes 0 7 0 1
R:R:I290 R:R:W291 5.87 2 No Yes 5 4 1 2
R:R:I290 R:R:Y294 4.84 2 No Yes 5 7 1 1
L:L:?1 R:R:I290 5.19 2 Yes No 0 5 0 1
R:R:W291 R:R:Y294 9.65 2 Yes Yes 4 7 2 1
L:L:?1 R:R:Y294 5.33 2 Yes Yes 0 7 0 1
R:R:F186 R:R:G191 3.01 2 Yes No 1 4 1 2
R:R:I104 R:R:I159 2.94 0 No No 4 6 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.82
Average Nodes In Shell33.00
Average Hubs In Shell14.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell41.00
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 Hub6.00
Average Interaction Strength7.82
Average Nodes In Shell33.00
Average Hubs In Shell14.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell41.00

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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 🔍)