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Ligand · XCD

XCD · 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide

XCD, 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide (C21 H19 F3 N4 O2, 416.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
XCD
Formula
C21 H19 F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XCD in 2 structures; the first of them:

  • 7KYY · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · XCD A1001 · binds TYR168, PHE171, LEU172, CYS175, LEU176, GLY181, GLU182, CYS184 and 15 more
  • 7KYY · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with… · XCD A1001 · binds TYR168, PHE171, LEU172, CYS175, LEU176, GLY181, GLU182, CYS184 and 15 more

Residues it binds most

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

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid

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