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Ligand · 2KE

2KE · (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide

2KE, (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide (C29 H33 N5 O5 S, 563.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
2KE
Formula
C29 H33 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2KE in 2 structures; the first of them:

  • 4NG9 · Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-eth… · 2KE H301 · binds HIS57, ASP60, GLY97, THR98, THR99, ASP102, PRO170I, ASP189 and 14 more
  • 4NG9 · Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin… · 2KE H301 · binds HIS57, ASP60, GLY97, THR98, THR99, ASP102, PRO170I, ASP189 and 14 more

Residues it binds most

GLY 2, ASP 2, SER 2, CYS 2, THR 2, VAL 2, GLN 2, HIS 2, LYS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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