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Ligand · 3BG

3BG · 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone

3BG, 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone (C27 H31 N7 O4, 517.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3BG
Formula
C27 H31 N7 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3BG in 2 structures; the first of them:

  • 4QRE · Structure of Methionyl-tRNA Synthetase in complex with… · 3BG A601 · binds PRO11, ILE12, TYR13, TYR14, ASP51, HIS53, GLY54, GLU132 and 15 more
  • 4QRE · Structure of methionyl-tRNA synthetase in complex with 1-(4-{4-[(1H… · 3BG A601 · binds PRO11, ILE12, TYR13, TYR14, ASP51, HIS53, GLY54, GLU132 and 15 more

Residues it binds most

TYR 2, ASP 2, HIS 2, ILE 2, PHE 2, VAL 2, ALA 2, ASN 2, GLU 2, GLY 2 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • MG · Magnesium ion

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