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Ligand · 8R2

8R2 · (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide

8R2, (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide (C18 H17 N5 O3, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
8R2
Formula
C18 H17 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8R2 in 2 structures; the first of them:

  • 5AJV · Human PFKFB3 in complex with an indole inhibitor 1 · 8R2 B1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 10 more
  • 5AJV · Human PFKFB3 in complex with an indole inhibitor 1 · 8R2 B1449 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 10 more

Residues it binds most

VAL 2, GLY 2, ILE 2, ALA 2, ARG 2, ASN 2, CYS 2, HIS 2, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • FDP · 2,6-di-O-phosphono-beta-D-fructofuranose
  • PO4 · Phosphate ion

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