CodeT4U
NameLorcaserin
SynonymsLorcaserin
Identifier(5~{R})-7-chloranyl-5-methyl-2,3,4,5-tetrahydro-1~{H}-3-benzazepine
FormulaC11 H14 Cl N
Molecular Weight195.689
SMILESC[C@H]1CNCCc2c1cc(cc2)Cl
PubChem11658860
Formal Charge0
Total Atoms27
Total Chiral Atoms1
Total Bonds28
Total Aromatic Bonds6
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8DPF A Amine 5-Hydroxytryptamine 5-HT2C Homo sapiens Lorcaserin - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 2.84 2022-08-24 10.1016/j.celrep.2022.111211

A 2D representation of the interactions of T4U in 8DPF
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:D134 R:R:V106 13.15 6 No No 8 7 1 2
R:R:V106 R:R:Y358 6.31 6 No Yes 7 8 2 2
R:R:D134 R:R:Y358 10.34 6 No Yes 8 8 1 2
L:L:?1 R:R:D134 11.16 6 Yes No 0 8 0 1
R:R:V135 R:R:V185 3.21 0 No No 6 6 1 2
R:R:I189 R:R:V135 4.61 7 Yes No 6 6 2 1
L:L:?1 R:R:V135 15.75 6 Yes No 0 6 0 1
L:L:?1 R:R:S138 10.59 6 Yes No 0 6 0 1
R:R:F328 R:R:S219 5.28 6 Yes No 7 7 1 1
L:L:?1 R:R:S219 3.53 6 Yes No 0 7 0 1
R:R:F223 R:R:W324 4.01 6 Yes Yes 8 8 2 2
R:R:F223 R:R:F328 25.72 6 Yes Yes 8 7 2 1
R:R:F328 R:R:W324 2 6 Yes Yes 7 8 1 2
R:R:F327 R:R:F328 3.22 6 Yes Yes 7 7 1 1
R:R:F327 R:R:L350 3.65 6 Yes No 7 4 1 2
R:R:F327 R:R:F353 2.14 6 Yes Yes 7 6 1 2
R:R:F327 R:R:V354 7.87 6 Yes No 7 7 1 1
L:L:?1 R:R:F327 7.16 6 Yes Yes 0 7 0 1
L:L:?1 R:R:F328 5.72 6 Yes Yes 0 7 0 1
R:R:V354 R:R:Y358 5.05 6 No Yes 7 8 1 2
L:L:?1 R:R:V354 3.5 6 Yes No 0 7 0 1
L:L:?1 R:R:A222 1.85 6 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub2.00
Average Interaction Strength7.41
Average Nodes In Shell17.00
Average Hubs In Shell8.00
Average Links In Shell22.00
Average Links Mediated by Hubs In Shell20.00
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
8DPH A Amine 5-Hydroxytryptamine 5-HT2C Homo sapiens Lorcaserin - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.2 2022-08-24 10.1016/j.celrep.2022.111211

A 2D representation of the interactions of T4U in 8DPH
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:D134 R:R:V106 11.69 7 Yes No 8 7 1 2
R:R:V106 R:R:Y358 5.05 7 No Yes 7 8 2 1
R:R:D134 R:R:W130 3.35 7 Yes No 8 5 1 2
R:R:D134 R:R:Y358 10.34 7 Yes Yes 8 8 1 1
L:L:?1 R:R:D134 23.92 7 Yes Yes 0 8 0 1
R:R:V135 R:R:V185 3.21 0 No No 6 6 1 2
R:R:I189 R:R:V135 4.61 9 Yes No 6 6 2 1
L:L:?1 R:R:V135 19.25 7 Yes No 0 6 0 1
L:L:?1 R:R:S138 15.88 7 Yes No 0 6 0 1
R:R:F327 R:R:L350 3.65 7 No No 7 4 1 2
R:R:F327 R:R:V354 7.87 7 No No 7 7 1 1
L:L:?1 R:R:F327 5.72 7 Yes No 0 7 0 1
R:R:V354 R:R:Y358 5.05 7 No Yes 7 8 1 1
L:L:?1 R:R:V354 3.5 7 Yes No 0 7 0 1
R:R:W355 R:R:Y358 9.65 7 Yes Yes 7 8 2 1
L:L:?1 R:R:Y358 4.13 7 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub2.00
Average Interaction Strength12.07
Average Nodes In Shell13.00
Average Hubs In Shell5.00
Average Links In Shell16.00
Average Links Mediated by Hubs In Shell13.00
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
8DPI A Amine 5-Hydroxytryptamine 5-HT2C Homo sapiens Lorcaserin - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.4 2022-08-24 10.1016/j.celrep.2022.111211

A 2D representation of the interactions of T4U in 8DPI
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:D134 R:R:V106 11.69 13 No No 8 7 1 2
R:R:V106 R:R:Y358 5.05 13 No Yes 7 8 2 2
R:R:D134 R:R:Y358 10.34 13 No Yes 8 8 1 2
L:L:?1 R:R:D134 17.54 13 Yes No 0 8 0 1
R:R:V135 R:R:V185 3.21 0 No No 6 6 1 2
R:R:I189 R:R:V135 4.61 9 Yes No 6 6 2 1
L:L:?1 R:R:V135 19.25 13 Yes No 0 6 0 1
L:L:?1 R:R:S138 14.11 13 Yes No 0 6 0 1
L:L:?1 R:R:S219 3.53 13 Yes No 0 7 0 1
L:L:?1 R:R:A222 5.55 13 Yes No 0 7 0 1
R:R:F223 R:R:F328 30.01 0 Yes No 8 7 2 1
R:R:F327 R:R:F328 3.22 13 Yes No 7 7 1 1
R:R:F327 R:R:V354 7.87 13 Yes No 7 7 1 2
L:L:?1 R:R:F327 7.16 13 Yes Yes 0 7 0 1
L:L:?1 R:R:F328 8.59 13 Yes No 0 7 0 1
R:R:V354 R:R:Y358 5.05 0 No Yes 7 8 2 2
R:R:F327 R:R:L350 2.44 13 Yes No 7 4 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub1.00
Average Interaction Strength10.82
Average Nodes In Shell15.00
Average Hubs In Shell5.00
Average Links In Shell17.00
Average Links Mediated by Hubs In Shell15.00
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 Links7.00
Average Number Of Links With An Hub1.67
Average Interaction Strength10.10
Average Nodes In Shell15.00
Average Hubs In Shell6.00
Average Links In Shell18.33
Average Links Mediated by Hubs In Shell16.00

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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 🔍)