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Ligand · 39R

39R · 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline

39R, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline (C14 H12 N4, 236.3 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 residues it binds most and the…

Component
39R
Formula
C14 H12 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

39R in 2 structures; the first of them:

  • 4TZ2 · Fragment-Based Screening of the Bromodomain of ATAD2 · 39R A1205 · binds VAL1008, PHE1009, LYS1011, VAL1013, TYR1021, MET1029, ASP1030, LEU1055 and 6 more
  • 4TZ2 · Fragment-based screening of the bromodomain of ATAD2 · 39R A1205 · binds VAL1008, PHE1009, LYS1011, VAL1013, TYR1021, MET1029, ASP1030, LEU1055 and 6 more

Residues it binds most

ASN 2, ILE 2, TYR 2, VAL 2, ALA 2, ASP 2, LEU 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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