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Ligand · 9F1

9F1 · Methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4, 7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate

9F1, Methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4, 7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate (C27 H26 Cl F2 N5 O4, 558.0 g/mol), in the MolNFT…

Component
9F1
Formula
C27 H26 Cl F2 N5 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

9F1 in 1 structure; the first of them:

  • 5Q0H · Factor xia in complex with the inhibitor methyl [(4R,5E,8S)-11-chloro… · 9F1 A301 · binds ARG39, HIS40, LEU41, HIS57, CYS58, ILE151, ASP189, ALA190 and 11 more

Residues it binds most

CYS 1, GLY 1, ASP 1, HIS 1, SER 1, ALA 1, ARG 1, ILE 1, LEU 1, LYS 1 (residue and the binding sites it lines).

Found with

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

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