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Ligand · 21W

21W · N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

21W, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide (C19 H18 N6 O2 S, 394.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
21W
Formula
C19 H18 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

21W in 2 structures; the first of them:

  • 4MCB · H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OX… · 21W A303 · binds LEU87, SER88, PRO89, GLY113, TYR115, GLU116, TRP131, SER132 and 13 more
  • 4MCB · H.INFLUENZAE trmd in complex with N-(4-{[(1H-imidazol-2-ylmethyl)… · 21W A303 · binds LEU87, SER88, PRO89, GLY113, TYR115, GLU116, TRP131, SER132 and 13 more

Residues it binds most

GLY 4, LEU 4, PRO 4, SER 4, TYR 4, ASP 2, GLU 4, ILE 4, THR 4, TRP 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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