GL1X · GenesisL1 explorer

Ligand · 10O

10O · 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile

10O, 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile (C24 H22 N6 O2 S, 458.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
10O
Formula
C24 H22 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

10O in 2 structures; the first of them:

  • 4H3F · Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooct… · 10O A502 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 14 more
  • 4H3F · Structure of bace bound to 3-(5-((7AR)-2-imino-6-(6-methoxypyridin-2… · 10O A502 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 14 more

Residues it binds most

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

Found with

  • TLA · L(+)-tartaric acid

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.