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Ligand · 38C

38C · 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

38C, 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid (C18 H14 F3 N3 O3, 377.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
38C
Formula
C18 H14 F3 N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

38C in 4 structures; the first of them:

  • 4P8K · Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor… · 38C A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, ALA326, GLN334 and 7 more
  • 4P8Y · Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor… · 38C A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, LEU317, ASP318 and 9 more
  • 4P8K · Crystal structure of M. tuberculosis DPRE1 in complex with the non- covalent inhibitor… · 38C A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, ALA326, GLN334 and 7 more
  • 4P8Y · Crystal structure of M. tuberculosis DPRE1 in complex with the non- covalent inhibitor… · 38C A502 · binds TYR60, GLY117, HIS132, GLY133, LYS134, SER228, LEU317, ASP318 and 9 more

Residues it binds most

LYS 6, GLN 6, GLY 6, ASN 6, TYR 6, CYS 6, HIS 6, SER 6, VAL 6, LEU 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • IMD · Imidazole

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