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Ligand · 50I

50I · 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide

50I, 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide (C20 H23 N7 O2, 393.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within…

Component
50I
Formula
C20 H23 N7 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

50I in 3 structures; the first of them:

  • 5ZA9 · uPA-BB2-50F · 50I U301 · binds SER146, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 6 more
  • 5ZA9 · UPA-BB2-50F · 50I U301 · binds SER146, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 6 more
  • 6L05 · Crystal structure of UPA_H99Y in complex with 50F · 50I U301 · binds HIS57, SER146, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 8 more

Residues it binds most

SER 3, GLY 3, CYS 3, ASP 3, GLN 3, PRO 3, TRP 3, VAL 3, ARG 1, HIS 1 (residue and the binding sites it lines).

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