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Ligand · AX1

AX1 · 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

AX1, 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (C14 H9 N5 O3, 295.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
AX1
Formula
C14 H9 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

AX1 in 2 structures; the first of them:

  • 3JQ9 · Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary… · AX1 A270 · binds ARG14, SER95, PHE97, ASP161, MET163, GLN166, CYS168, TYR174 and 4 more
  • 3JQ9 · Crystal structure of pteridine reductase 1 (PTR1) from trypanosoma brucei in ternary… · AX1 A270 · binds ARG14, SER95, PHE97, ASP161, MET163, GLN166, CYS168, TYR174 and 4 more

Residues it binds most

LEU 6, ARG 8, ASP 8, GLN 8, GLY 8, MET 8, PHE 8, PRO 8, SER 8, TRP 8 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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