GL1X · GenesisL1 explorer

Ligand · 5Y5

5Y5 · 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5Y5, 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (C18 H18 Br F2 N5, 422.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
5Y5
Formula
C18 H18 Br F2 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

5Y5 in 2 structures; the first of them:

  • 5FI8 · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with… · 5Y5 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 14 more
  • 5FI8 · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with… · 5Y5 A1001 · binds LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185, PHE188 and 14 more

Residues it binds most

LEU 2, CYS 2, ILE 2, GLY 2, PHE 2, ARG 2, GLU 2, HIS 2, MET 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • LDA · Lauryl dimethylamine-N-oxide

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