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Ligand · R57

R57 · 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

R57, 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid (C18 H13 F4 N3 O3, 395.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
R57
Formula
C18 H13 F4 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

R57 in 2 structures; the first of them:

  • 4P8N · Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor… · R57 A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, LEU317, ASP318 and 10 more
  • 4P8N · Crystal structure of M. tuberculosis DPRE1 in complex with the non- covalent inhibitor… · R57 A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, LEU317, ASP318 and 10 more

Residues it binds most

LYS 4, ASN 4, GLN 4, GLY 4, CYS 4, HIS 4, LEU 2, SER 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • IMD · Imidazole

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