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Ligand · 36C

36C · 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

36C, 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid (C17 H11 F4 N3 O2, 365.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
36C
Formula
C17 H11 F4 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

36C in 2 structures; the first of them:

  • 4P8L · Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor… · 36C A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, LEU317, ASP318 and 9 more
  • 4P8L · Crystal structure of M. tuberculosis DPRE1 in complex with the non- covalent inhibitor… · 36C A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, LEU317, ASP318 and 9 more

Residues it binds most

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

Found with

  • FAD · Flavin-adenine dinucleotide
  • IMD · Imidazole

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