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Ligand · XAJ

XAJ · ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1H-pyrrole-2-carboxylate

XAJ, ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1H-pyrrole-2-carboxylate (C17 H15 F3 N2 O3, 352.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
XAJ
Formula
C17 H15 F3 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

XAJ in 2 structures; the first of them:

  • 7KYK · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · XAJ A1001 · binds TYR168, PHE171, LEU172, CYS175, LEU176, GLY181, CYS184, HIS185 and 11 more
  • 7KYK · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with… · XAJ A1001 · binds TYR168, PHE171, LEU172, CYS175, LEU176, GLY181, CYS184, HIS185 and 11 more

Residues it binds most

LEU 8, PHE 8, CYS 8, GLY 8, ILE 8, ARG 8, HIS 8, MET 8, TYR 8, VAL 8 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid

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