GL1X · GenesisL1 explorer

Ligand · 4GR

4GR · methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate

4GR, methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate (C29 H24 Cl2 N8 O3, 603.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
4GR
Formula
C29 H24 Cl2 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4GR in 2 structures; the first of them:

  • 4Y8X · Factor XIa in complex with the inhibitor methyl… · 4GR A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more
  • 4Y8X · Factor xia in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)… · 4GR A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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