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Ligand · XC7

XC7 · 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide

XC7, 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide (C19 H19 F3 N6 O, 404.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
XC7
Formula
C19 H19 F3 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

XC7 in 2 structures; the first of them:

  • 7KZ4 · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · XC7 A1001 · binds PHE171, LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185 and 12 more
  • 7KZ4 · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with… · XC7 A1001 · binds PHE171, LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185 and 12 more

Residues it binds most

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

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • MG · Magnesium ion

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