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Ligand · 2KF

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

2KF, (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide (C32 H38 N4 O5 S, 590.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
2KF
Formula
C32 H38 N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2KF in 2 structures; the first of them:

  • 4NGA · Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-eth… · 2KF H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, THR98, THR99 and 18 more
  • 4NGA · Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin… · 2KF H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, THR98, THR99 and 18 more

Residues it binds most

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

Found with

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

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