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Ligand · 3Y4

3Y4 · methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate

3Y4, methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate (C29 H26 Cl2 N8 O3, 605.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
3Y4
Formula
C29 H26 Cl2 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3Y4 in 2 structures; the first of them:

  • 4X6O · FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl… · 3Y4 A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more
  • 4X6O · Factor xia in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)… · 3Y4 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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