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Ligand · D6A

D6A · (3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol

D6A, (3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol (C13 H12 F3 N3 O2, 299.2 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…

Component
D6A
Formula
C13 H12 F3 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

D6A in 2 structures; the first of them:

  • 5QB7 · Crystal structure of Endothiapepsin-FRG075 complex · D6A A407 · binds ASP33, ASP35, GLY37, SER38, TYR79, GLY80, ASP81, SER83 and 8 more
  • 5QB7 · Crystal structure of endothiapepsin-FRG075 complex · D6A A407 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, SER115 and 6 more

Residues it binds most

ASP 2, GLY 2, SER 2, LEU 2, PHE 2, THR 2, TYR 2, ILE 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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