CodeB40
NameMetamfetamine
SynonymsMetamfetaminum
Identifier
FormulaC10 H15 N
Molecular Weight149.233
SMILES
PubChem10836
Formal Charge0
Total Atoms26
Total Chiral Atoms1
Total Bonds26
Total Aromatic Bonds6
Networks4
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This ligand is also present in the following 4 networks:
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
L:L:?1 R:R:D103 9.95 2 Yes Yes 0 6 0 1
L:L:?1 R:R:I104 15.7 2 Yes No 0 4 0 1
L:L:?1 R:R:S107 11.01 2 Yes No 0 6 0 1
L:L:?1 R:R:F186 4.47 2 Yes Yes 0 1 0 1
L:L:?1 R:R:T194 4.05 2 Yes No 0 5 0 1
L:L:?1 R:R:S198 5.5 2 Yes No 0 6 0 1
L:L:?1 R:R:W264 4.18 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F267 13.4 2 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 7.81 2 Yes Yes 0 7 0 1
L:L:?1 R:R:I290 5.23 2 Yes No 0 5 0 1
L:L:?1 R:R:Y294 5.37 2 Yes Yes 0 7 0 1
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
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
R:R:S107 R:R:W264 4.94 2 No Yes 6 8 1 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
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
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
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
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
R:R:W291 R:R:Y294 9.65 2 Yes Yes 4 7 2 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 Yes 4 6 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.88
Average Nodes In Shell33.00
Average Hubs In Shell15.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell42.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9JKQ A Amine Trace Amine Receptors TA1 Homo Sapiens METH - Gs/Beta1/Gamma2 2.66 2024-10-16 doi.org/10.1021/acs.jmedchem.4c01961

A 2D representation of the interactions of B40 in 9JKQ
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:D103 R:R:V76 7.3 2 Yes No 6 7 1 2
R:R:I159 R:R:T100 3.04 0 Yes No 6 4 2 2
R:R:T100 R:R:V184 3.17 0 No No 4 4 2 1
R:R:D103 R:R:S107 4.42 2 Yes No 6 6 1 1
R:R:D103 R:R:Y294 10.34 2 Yes Yes 6 7 1 2
L:L:?1 R:R:D103 15.15 2 Yes Yes 0 6 0 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
R:R:I104 R:R:I159 2.94 0 No Yes 4 6 1 2
L:L:?1 R:R:I104 15.93 2 Yes No 0 4 0 1
R:R:S107 R:R:W264 4.94 2 No Yes 6 8 1 2
L:L:?1 R:R:S107 6.98 2 Yes No 0 6 0 1
R:R:P151 R:R:S108 3.56 0 No No 8 5 2 1
R:R:S108 R:R:S198 6.52 2 No No 5 6 1 1
L:L:?1 R:R:S108 2.79 2 Yes No 0 5 0 1
R:R:F186 R:R:V184 3.93 2 Yes No 1 4 1 1
L:L:?1 R:R:V184 2.77 2 Yes No 0 4 0 1
R:R:F186 R:R:S190 7.93 2 Yes Yes 1 6 1 2
R:R:F186 R:R:G191 3.01 2 Yes No 1 4 1 2
R:R:F186 R:R:T194 6.49 2 Yes No 1 5 1 2
L:L:?1 R:R:F186 3.4 2 Yes Yes 0 1 0 1
R:R:G191 R:R:S190 3.71 2 No Yes 4 6 2 2
R:R:F195 R:R:F199 6.43 2 Yes No 5 8 2 2
R:R:F195 R:R:F268 6.43 2 Yes Yes 5 7 2 1
R:R:S198 R:R:T197 3.2 2 No No 6 4 1 2
L:L:?1 R:R:S198 2.79 2 Yes No 0 6 0 1
R:R:F199 R:R:F268 20.36 2 No Yes 8 7 2 1
R:R:F268 R:R:W264 5.01 2 Yes Yes 7 8 1 2
R:R:F267 R:R:F268 6.43 2 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 7.78 2 Yes No 5 5 1 2
R:R:F267 R:R:L289 3.65 2 Yes No 5 5 1 2
R:R:F267 R:R:I290 3.77 2 Yes Yes 5 5 1 1
L:L:?1 R:R:F267 13.59 2 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 6.8 2 Yes Yes 0 7 0 1
R:R:I290 R:R:N286 4.25 2 Yes No 5 4 1 2
R:R:I290 R:R:Y294 6.04 2 Yes Yes 5 7 1 2
L:L:?1 R:R:I290 3.98 2 Yes Yes 0 5 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.42
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell31.00
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 Links10.25
Average Number Of Links With An Hub5.50
Average Interaction Strength7.81
Average Nodes In Shell29.50
Average Hubs In Shell12.75
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell35.75

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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 🔍)