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Ligand · NR7

NR7 · Methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12, 9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate

NR7, Methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12, 9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate (C29 H30 Cl N5 O4, 548.0 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
NR7
Formula
C29 H30 Cl N5 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

NR7 in 1 structure; the first of them:

  • 5QQP · Factor xia in complex with the inhibitor methyl [(5E,8S)-8-[(4S)-4-(3… · NR7 A301 · binds ARG39, HIS40, LEU41, HIS57, ILE151, ASP189, ALA190, CYS191 and 12 more

Residues it binds most

GLY 1, ASP 1, HIS 1, SER 1, ALA 1, ARG 1, CYS 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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