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Ligand · 39X

39X · 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine

39X, 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine (C21 H16 F N3 O3, 377.4 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
39X
Formula
C21 H16 F N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

39X in 2 structures; the first of them:

  • 4TYO · PPIase in complex with a non-phosphate small molecule inhibitor. · 39X A201 · binds HIS59, LEU61, LYS63, ARG69, ASP112, CYS113, SER114, SER115 and 8 more
  • 4TYO · Ppiase in complex with a non-phosphate small molecule inhibitor. · 39X A201 · binds HIS59, LEU61, LYS63, ARG69, ASP112, CYS113, SER114, SER115 and 8 more

Residues it binds most

SER 4, ASP 4, HIS 4, LEU 4, ARG 4, CYS 4, GLN 4, LYS 4, MET 4, PHE 4 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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