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Ligand · G9I

G9I · 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one

G9I, 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one (C23 H26 N4 O, 374.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
G9I
Formula
C23 H26 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

G9I in 2 structures; the first of them:

  • 3KI7 · Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with inhibitor GP-I · G9I A1 · binds TYR459, HIS460, GLY461, TRP489, TYR493, VAL494, ALA495, VAL500 and 5 more
  • 3KI7 · Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor gp-I · G9I A1 · binds TYR459, HIS460, GLY461, TRP489, TYR493, VAL494, ALA495, VAL500 and 5 more

Residues it binds most

TYR 2, ALA 2, GLU 2, VAL 2, GLY 2, HIS 2, LEU 2, TRP 2 (residue and the binding sites it lines).

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