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Ligand · 833

833 · 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine

833, 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine (C11 H11 N3 O2, 217.2 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, the residues it binds most…

Component
833
Formula
C11 H11 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

833 in 2 structures; the first of them:

  • 3AO4 · Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase · 833 A1 · binds TYR83, ASN184, HIS185, SER195, GLY197, GLU198, VAL201, ALA105 and 6 more
  • 3AO4 · Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase · 833 A1 · binds TYR83, ASN184, HIS185, SER195, GLY197, GLU198, VAL201, ALA105 and 6 more

Residues it binds most

GLY 4, ALA 4, ARG 4, ASN 4, ASP 4, GLU 4, HIS 4, ILE 4, PRO 4, SER 4 (residue and the binding sites it lines).

Found with

  • CD · Cadmium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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