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Ligand · 2R2

2R2 · [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone

2R2, [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone (C17 H19 F3 N4 O4 S, 432.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
2R2
Formula
C17 H19 F3 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2R2 in 2 structures; the first of them:

  • 4PFD · Crystal structure of M. tuberculosis in complex with a cBT - non-covalent adduct · 2R2 A503 · binds TYR60, LEU115, GLY117, HIS132, GLY133, LYS134, SER228, TYR314 and 9 more
  • 4PFD · Crystal structure of M. tuberculosis in complex with a cbt - non- covalent adduct · 2R2 A503 · binds TYR60, LEU115, GLY117, HIS132, GLY133, LYS134, SER228, TYR314 and 9 more

Residues it binds most

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

Found with

  • FAD · Flavin-adenine dinucleotide
  • IMD · Imidazole

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