GL1X · GenesisL1 explorer

Ligand · 2V6

2V6 · N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2V6, N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (C14 H7 F8 N5, 397.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site…

Component
2V6
Formula
C14 H7 F8 N5
Class
ligand
Structures
6
PDB entries
3

Binding sites

2V6 in 6 structures; the first of them:

  • 4OQV · High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338… · 2V6 A503 · binds TYR38, LEU42, MET43, LEU46, GLN47, PRO52, GLU53, ALA55 and 13 more
  • 4ORI · Rat dihydroorotate dehydrogenase bound with DSM338… · 2V6 A502 · binds TYR38, LEU42, MET43, LEU46, GLN47, PRO52, GLU53, ALA55 and 13 more
  • 4ORM · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · 2V6 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 13 more
  • 4OQV · High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338… · 2V6 A503 · binds TYR38, LEU42, MET43, LEU46, GLN47, PRO52, GLU53, ALA55 and 13 more
  • 4ORI · Rat dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4… · 2V6 A502 · binds TYR38, LEU42, MET43, LEU46, GLN47, PRO52, GLU53, ALA55 and 13 more
  • 4ORM · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with… · 2V6 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 13 more

Residues it binds most

LEU 6, TYR 6, VAL 6, ALA 4, GLY 6, ILE 4, PRO 4, ARG 6, GLU 6, HIS 6 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • NA · Sodium ion
  • ACY · Acetic acid

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