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Ligand · 31A

31A · N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide

31A, N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide (C21 H25 N3 O3, 367.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
31A
Formula
C21 H25 N3 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

31A in 3 structures; the first of them:

  • 6EWF · Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor · 31A A502 · binds VAL81, GLU82, ASP83, PHE88, ARG89, PHE90, TYR92, THR203 and 13 more
  • 6EWF · Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor · 31A A502 · binds VAL81, GLU82, ASP83, PHE88, PHE90, TYR92, TYR217, TYR326 and 9 more
  • 6FZ2 · Human N-myristoyltransferase (NMT1) with myristoyl-CoA and inhibitor bound · 31A A1000 · binds VAL181, GLU182, ASP183, PHE188, PHE190, TYR192, TYR296, PHE311 and 8 more

Residues it binds most

TYR 4, PHE 4, LEU 4, VAL 4, ASN 4, ASP 4, GLU 4, MET 2, SER 4, GLN 2 (residue and the binding sites it lines).

Found with

  • MYA · Tetradecanoyl-coa
  • MG · Magnesium ion
  • GOL · Glycerol

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