GL1X · GenesisL1 explorer

Ligand · 8IE

8IE · (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine

8IE, (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine (C18 H17 N5 S, 335.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
8IE
Formula
C18 H17 N5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8IE in 2 structures; the first of them:

  • 7S87 · Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex… · 8IE A601 · binds TYR168, LEU172, CYS175, LEU176, GLY181, CYS184, HIS185, PHE188 and 8 more
  • 7S87 · Crystal structure of dihydroorotate dehydrogenase from plasmodium falciparum in complex… · 8IE A601 · binds TYR168, LEU172, CYS175, LEU176, GLY181, CYS184, HIS185, PHE188 and 7 more

Residues it binds most

LEU 8, TYR 8, PHE 8, CYS 7, GLY 4, MET 6, SER 4, ILE 5, ARG 4, HIS 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • P4K · polyethylene glycol
  • SO4 · Sulfate ion
  • ACT · Acetate ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.