GL1X · GenesisL1 explorer

Ligand · 60T

60T · (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one

60T, (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one (C19 H19 F3 N6 O2, 420.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
60T
Formula
C19 H19 F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

60T in 2 structures; the first of them:

  • 5HE4 · BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyr… · 60T A501 · binds LEU91, ASP93, GLY95, SER96, ASN98, ALA100, VAL130, TYR132 and 9 more
  • 5HE4 · Bace-1 in complex with (4AR,7AS)-7A-(2,6-difluorophenyl)-6-(5-fluoro… · 60T A501 · binds LEU91, ASP93, GLY95, SER96, ASN98, ALA100, VAL130, TYR132 and 9 more

Residues it binds most

ASP 4, GLY 4, ILE 4, TRP 4, ALA 4, ARG 4, ASN 4, LEU 4, PHE 4, SER 4 (residue and the binding sites it lines).

Found with

  • TLA · L(+)-tartaric acid

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