Code05X
NameLasmiditan
Synonyms
  • Lasmiditan succinate
  • Lasmiditan
Identifier2,4,6-tris(fluoranyl)-~{N}-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
FormulaC19 H18 F3 N3 O2
Molecular Weight377.36
SMILESCN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F
PubChem11610526
Formal Charge0
Total Atoms45
Total Chiral Atoms0
Total Bonds47
Total Aromatic Bonds12
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
7EXD A Amine 5-Hydroxytryptamine 5-HT1F Homo sapiens Lasmiditan - Gi1/Beta1/Gamma2 3.4 2021-08-04 10.1038/s41422-021-00527-4

A 2D representation of the interactions of 05X in 7EXD
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 4.38 2 Yes Yes 8 7 1 2
R:R:M77 R:R:W334 9.31 2 Yes Yes 8 7 2 2
R:R:M77 R:R:Y337 3.59 2 Yes Yes 8 7 2 1
R:R:I174 R:R:L100 7.14 0 No No 5 6 1 2
R:R:C107 R:R:D103 3.11 2 No Yes 7 8 1 1
R:R:D103 R:R:Y337 10.34 2 Yes Yes 8 7 1 1
L:L:?1 R:R:D103 14.42 2 Yes Yes 0 8 0 1
R:R:I104 R:R:S155 7.74 0 No No 7 8 1 2
R:R:I104 R:R:P158 6.77 0 No No 7 7 1 2
L:L:?1 R:R:I104 10.11 2 Yes No 0 7 0 1
R:R:C107 R:R:W306 5.22 2 No Yes 7 9 1 1
L:L:?1 R:R:C107 10.12 2 Yes No 0 7 0 1
R:R:S151 R:R:T108 3.2 0 Yes No 8 8 2 1
R:R:I154 R:R:T108 6.08 0 No No 7 8 2 1
L:L:?1 R:R:T108 3.13 2 Yes No 0 8 0 1
R:R:A189 R:R:I154 3.25 0 No No 7 7 2 2
R:R:P158 R:R:S185 5.34 0 No No 7 7 2 1
R:R:F160 R:R:H176 9.05 0 No Yes 5 5 2 1
L:L:?1 R:R:I174 12.13 2 Yes No 0 5 0 1
R:R:K175 R:R:N317 2.8 0 No Yes 5 6 2 1
R:R:H176 R:R:H178 9.55 2 Yes No 5 4 1 2
R:R:H176 R:R:S181 5.58 2 Yes No 5 7 1 2
R:R:H176 R:R:T182 4.11 2 Yes No 5 7 1 1
L:L:?1 R:R:H176 7.29 2 Yes Yes 0 5 0 1
R:R:H178 R:R:S181 4.18 2 No No 4 7 2 2
R:R:T182 R:R:T186 3.14 2 No No 7 7 1 2
L:L:?1 R:R:T182 6.26 2 Yes No 0 7 0 1
L:L:?1 R:R:S185 3.19 2 Yes No 0 7 0 1
R:R:A189 R:R:F310 2.77 0 No Yes 7 6 2 1
R:R:F190 R:R:F302 7.5 2 Yes Yes 8 9 2 2
R:R:F190 R:R:W306 3.01 2 Yes Yes 8 9 2 1
R:R:F190 R:R:F310 15 2 Yes Yes 8 6 2 1
R:R:F302 R:R:W306 7.02 2 Yes Yes 9 9 2 1
R:R:F302 R:R:N339 4.83 2 Yes Yes 9 9 2 2
R:R:F309 R:R:W306 3.01 2 Yes Yes 7 9 1 1
R:R:F310 R:R:W306 6.01 2 Yes Yes 6 9 1 1
R:R:G336 R:R:W306 8.44 0 No Yes 7 9 2 1
R:R:N339 R:R:W306 6.78 2 Yes Yes 9 9 2 1
L:L:?1 R:R:W306 6.45 2 Yes Yes 0 9 0 1
R:R:F309 R:R:K312 6.2 2 Yes Yes 7 5 1 2
R:R:E313 R:R:F309 5.83 2 Yes Yes 6 7 1 1
R:R:F309 R:R:L332 3.65 2 Yes No 7 6 1 2
R:R:A333 R:R:F309 4.16 0 No Yes 5 7 2 1
L:L:?1 R:R:F309 12.08 2 Yes Yes 0 7 0 1
L:L:?1 R:R:F310 10.35 2 Yes Yes 0 6 0 1
R:R:E313 R:R:K312 4.05 2 Yes Yes 6 5 1 2
R:R:K312 R:R:V316 4.55 2 Yes Yes 5 4 2 2
R:R:K312 R:R:L332 5.64 2 Yes No 5 6 2 2
R:R:E313 R:R:N317 7.89 2 Yes Yes 6 6 1 1
L:L:?1 R:R:E313 11.26 2 Yes Yes 0 6 0 1
R:R:N317 R:R:V316 7.39 2 Yes Yes 6 4 1 2
L:L:?1 R:R:N317 9.73 2 Yes Yes 0 6 0 1
R:R:W334 R:R:Y337 3.86 2 Yes Yes 7 7 2 1
L:L:?1 R:R:Y337 6.64 2 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.80
Average Nodes In Shell37.00
Average Hubs In Shell18.00
Average Links In Shell54.00
Average Links Mediated by Hubs In Shell46.00
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 Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.80
Average Nodes In Shell37.00
Average Hubs In Shell18.00
Average Links In Shell54.00
Average Links Mediated by Hubs In Shell46.00

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 🔍)