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Ligand · 2B5

2B5 · 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid

2B5, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid (C21 H18 N2 O5, 378.4 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, the…

Component
2B5
Formula
C21 H18 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

2B5 in 2 structures; the first of them:

  • 3LE8 · Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom… · 2B5 A301 · binds PRO38, THR39, MET40, HIS44, GLY46, HIS47, ALA49, LEU50 and 16 more
  • 3LE8 · Crystal structure of mycobacterium tuberculosis pantothenate synthetase at 1.70 ångström… · 2B5 A301 · binds PRO38, THR39, MET40, HIS44, GLY46, HIS47, ALA49, LEU50 and 16 more

Residues it binds most

VAL 4, MET 4, GLY 4, HIS 4, LEU 4, PRO 4, SER 4, THR 4, ALA 4, ASP 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • EOH · Ethanol
  • GOL · Glycerol

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