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Ligand · XBL

XBL · 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

XBL, 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine (C19 H17 N5, 315.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
XBL
Formula
C19 H17 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

XBL in 2 structures; the first of them:

  • 4CQ9 · Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253 · XBL A4000 · binds LEU172, CYS175, LEU176, GLY181, CYS184, HIS185, PHE188, LEU189 and 10 more
  • 4CQ9 · Plasmodium falciparum dihydroorotate dehydrogenase (dhodh) in complex with idi-6253 · XBL A4000 · binds LEU172, CYS175, LEU176, GLY181, CYS184, HIS185, PHE188, LEU189 and 10 more

Residues it binds most

LEU 4, CYS 4, ILE 4, PHE 4, ARG 4, GLY 4, HIS 4, MET 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid

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