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Ligand · QGS

QGS · 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid

QGS, 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid (C28 H28 N2 O4, 456.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
QGS
Formula
C28 H28 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

QGS in 2 structures; the first of them:

  • 6USY · Coagulation factor XI catalytic domain (C123S) in complex with nvp-XIV936 · QGS A301 · binds LEU39, CYS40, HIS57, CYS58, TYR59A, TYR143, LEU146, ASP189 and 13 more
  • 6USY · Coagulation factor XI catalytic domain (C123S) in complex with nvp- XIV936 · QGS A301 · binds LEU39, CYS40, HIS57, CYS58, LEU146, ASP189, ALA190, CYS191 and 9 more

Residues it binds most

CYS 2, GLY 2, LEU 2, SER 2, ALA 2, ASP 2, HIS 2, LYS 2, THR 2, TRP 2 (residue and the binding sites it lines).

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