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Ligand · 41E

41E · 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide

41E, 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide (C22 H26 N2 O4 S, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
41E
Formula
C22 H26 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

41E in 2 structures; the first of them:

  • 4XJM · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 41E A501 · binds PRO24, TYR25, TRP64, TYR157, ASP160, MET165, GLY172, GLY173 and 11 more
  • 4XJM · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 41E A501 · binds PRO24, TYR25, TRP64, TYR157, ASP160, MET165, GLY172, GLY173 and 11 more

Residues it binds most

GLY 4, MET 4, PRO 4, TRP 4, TYR 4, PHE 4, ALA 4, LYS 4, THR 4, ASP 2 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate

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