CodeH8M
Name(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
SynonymsLY266097
Identifier
FormulaC21 H23 Cl N2 O2
Molecular Weight370.873
SMILES
PubChem92460087
Formal Charge0
Total Atoms49
Total Chiral Atoms1
Total Bonds52
Total Aromatic Bonds16
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
6DS0 A Amine 5-Hydroxytryptamine 5-HT2B Homo Sapiens Ly266097 - - 3.19 2018-08-29 doi.org/10.1038/s41594-018-0116-7

A 2D representation of the interactions of H8M in 6DS0
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:?4 R:R:D135 20.05 1 Yes No 0 8 0 1
L:L:?4 R:R:V136 10.48 1 Yes No 0 7 0 1
L:L:?4 R:R:F217 6.85 1 Yes Yes 0 7 0 1
L:L:?4 R:R:F340 18.85 1 Yes Yes 0 7 0 1
L:L:?4 R:R:N344 3.86 1 Yes Yes 0 6 0 1
L:L:?4 R:R:E363 7.46 1 Yes No 0 5 0 1
L:L:?4 R:R:V366 22.01 1 Yes No 0 6 0 1
R:R:D135 R:R:V107 5.84 1 No No 8 7 1 2
R:R:V107 R:R:Y370 5.05 1 No Yes 7 8 2 2
R:R:I110 R:R:W131 18.79 0 No No 5 6 2 1
R:R:E363 R:R:T114 5.64 0 No No 5 5 1 2
R:R:L132 R:R:W131 6.83 0 No No 5 6 2 1
R:R:D135 R:R:Y370 5.75 1 No Yes 8 8 1 2
R:R:A187 R:R:V136 3.39 0 No No 8 7 2 1
R:R:F217 R:R:P189 8.67 0 Yes No 7 8 1 2
R:R:F217 R:R:V190 3.93 0 Yes No 7 6 1 2
R:R:F214 R:R:F217 6.43 0 Yes Yes 5 7 2 1
R:R:M218 R:R:N344 8.41 0 No Yes 6 6 2 1
R:R:F341 R:R:S222 5.28 1 Yes No 7 7 2 2
R:R:N344 R:R:S222 5.96 1 Yes No 6 7 1 2
R:R:F340 R:R:W337 7.02 1 Yes Yes 7 8 1 2
R:R:F341 R:R:W337 8.02 1 Yes Yes 7 8 2 2
R:R:F340 R:R:F341 13.93 1 Yes Yes 7 7 1 2
R:R:F340 R:R:N344 12.08 1 Yes Yes 7 6 1 1
R:R:F340 R:R:V366 5.24 1 Yes No 7 6 1 1
R:R:V366 R:R:Y370 8.83 1 No Yes 6 8 1 2
L:L:?4 R:R:W131 3.2 1 Yes No 0 6 0 1
R:R:T206 R:R:V208 1.59 0 No No 4 3 2 1
R:R:F217 R:R:G221 1.51 0 Yes No 7 6 1 2
L:L:?4 R:R:V208 1.05 1 Yes No 0 3 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.42
Average Nodes In Shell25.00
Average Hubs In Shell8.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell24.00
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 Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.42
Average Nodes In Shell25.00
Average Hubs In Shell8.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell24.00

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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 🔍)