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Ligand · E2N

E2N · 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl) phenoxy]methyl]pyrazole-4-carboxylic acid

E2N, 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl) phenoxy]methyl]pyrazole-4-carboxylic acid (C13 H11 F3 N2 O4, 316.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
E2N
Formula
C13 H11 F3 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

E2N in 2 structures; the first of them:

  • 6I4B · Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with… · E2N A603 · binds PHE171, LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185 and 11 more
  • 6I4B · Plasmodium falciparum dihydroorotate dehydrogenase (dhodh) co- crystallized with… · E2N A603 · binds PHE171, LEU172, CYS175, LEU176, GLY181, CYS184, HIS185, LEU187 and 8 more

Residues it binds most

LEU 4, PHE 4, CYS 4, GLY 4, ARG 4, HIS 4, ILE 4, VAL 4, MET 3, TYR 3 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid

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