CodeH8M
Name(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
SynonymsLY266097
Identifier(1~{S})-1-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
FormulaC21 H23 Cl N2 O2
Molecular Weight370.873
SMILESCc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC
PubChem92460087
Formal Charge0
Total Atoms49
Total Chiral Atoms1
Total Bonds52
Total Aromatic Bonds16
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
6DS0 A Amine 5-Hydroxytryptamine 5-HT2B Homo sapiens Ly266097 - - 3.19 2018-08-29 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
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 1
R:R:M108 R:R:W367 4.65 1 Yes Yes 8 7 2 2
R:R:M108 R:R:Y370 4.79 1 Yes Yes 8 8 2 1
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 1
L:L:?4 R:R:D135 20.05 1 Yes No 0 8 0 1
R:R:A187 R:R:V136 3.39 0 No No 8 7 2 1
L:L:?4 R:R:V136 10.48 1 Yes No 0 7 0 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
L:L:?4 R:R:F217 6.85 1 Yes Yes 0 7 0 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
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
R:R:V366 R:R:Y370 8.83 1 No Yes 6 8 1 1
L:L:?4 R:R:V366 22.01 1 Yes No 0 6 0 1
R:R:W367 R:R:Y370 12.54 1 Yes Yes 7 8 2 1
L:L:?4 R:R:Y370 3.3 1 Yes Yes 0 8 0 1
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.71
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell28.00
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.71
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell28.00

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 🔍)