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Ligand · IXA

IXA · N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide

IXA, N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide (C24 H28 N6 O4, 464.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
IXA
Formula
C24 H28 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

IXA in 2 structures; the first of them:

  • 4D7F · Human FXIa in complex with small molecule inhibitors. · IXA A1245 · binds ARG37D, HIS38, LEU39, CYS40, HIS57, CYS58, TYR143, ILE151 and 14 more
  • 4D7F · Human fxia in complex with small molecule inhibitors. · IXA A1245 · binds ARG37D, HIS38, LEU39, CYS40, HIS57, CYS58, TYR143, ILE151 and 14 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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