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Ligand · FU3

FU3 · 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

FU3, 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (C21 H22 Cl2 F3 N5 O2, 504.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
FU3
Formula
C21 H22 Cl2 F3 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

FU3 in 2 structures; the first of them:

  • 3R4O · Optimization of Potent, Selective, and Orally Bioavailable… · FU3 A901 · binds ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96, GLY97 and 10 more
  • 3R4O · Optimization of potent, selective, and orally bioavailable… · FU3 A901 · binds ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96, GLY97 and 10 more

Residues it binds most

ASP 4, ASN 4, LYS 4, ALA 4, GLY 4, HIS 4, ILE 4, LEU 4, MET 4, PHE 4 (residue and the binding sites it lines).

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