GL1X · GenesisL1 explorer

Ligand · D65

D65 · 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D65, 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine (C14 H12 F7 N5 S, 415.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
D65
Formula
C14 H12 F7 N5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

D65 in 4 structures; the first of them:

  • 4RX0 · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · D65 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 12 more
  • 5BOO · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · D65 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 12 more
  • 4RX0 · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with… · D65 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 12 more
  • 5BOO · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with… · D65 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 12 more

Residues it binds most

LEU 6, ILE 6, CYS 6, PHE 6, ARG 6, GLU 6, GLY 6, HIS 6, MET 6, TYR 6 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • GOL · Glycerol

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