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Ligand · MBM

MBM · N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide

MBM, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide (C28 H32 N6 O4, 516.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
MBM
Formula
C28 H32 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

MBM in 2 structures; the first of them:

  • 3K9X · X-ray crystal structure of human fxa in complex with… · MBM B1 · binds GLU97, THR98, TYR99, GLU147, PHE174, ASP189, ALA190, CYS191 and 12 more
  • 3K9X · X-ray crystal structure of human fxa in complex with (S)-N-((2… · MBM B1 · binds GLU97, THR98, TYR99, GLU147, PHE174, ASP189, ALA190, CYS191 and 12 more

Residues it binds most

GLY 4, GLU 4, SER 4, CYS 4, TYR 4, GLN 4, THR 4, ALA 4, ARG 4, ASP 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • GOL · Glycerol

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