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Ligand · NWJ

NWJ · 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

NWJ, 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (C18 H16 N6 O, 332.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
NWJ
Formula
C18 H16 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

NWJ in 2 structures; the first of them:

  • 4CM5 · Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary… · NWJ A1270 · binds ARG14, SER95, ALA96, PHE97, ASP161, MET163, PRO167, CYS168 and 5 more
  • 4CM5 · Crystal structure of pteridine reductase 1 (PTR1) from trypanosoma brucei in ternary… · NWJ A1270 · binds ARG14, SER95, ALA96, PHE97, ASP161, MET163, PRO167, CYS168 and 5 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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