GL1X · GenesisL1 explorer

Ligand · 7GQ

7GQ · N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide

7GQ, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide (C22 H20 Cl2 N8 O2, 499.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
7GQ
Formula
C22 H20 Cl2 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7GQ in 2 structures; the first of them:

  • 5TNT · Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa… · 7GQ A301 · binds TYR99, HIS147, PHE174, ASP189, SER190, CYS191, GLN192, SER195 and 8 more
  • 5TNT · Discovery of novel aminobenzisoxazole derivatives as orally available factor ixa… · 7GQ A301 · binds TYR99, HIS147, PHE174, ASP189, SER190, CYS191, GLN192, SER195 and 7 more

Residues it binds most

SER 2, CYS 2, GLY 2, GLU 2, ASP 2, GLN 2, HIS 2, ILE 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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