GL1X · GenesisL1 explorer

Ligand · QEY

QEY · methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate

QEY, methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate (C30 H29 Cl F N7 O4, 606.0 g/mol), in the…

Component
QEY
Formula
C30 H29 Cl F N7 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

QEY in 2 structures; the first of them:

  • 5QTT · FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl… · QEY A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 16 more
  • 5QTT · Factor xia in complex with the inhibitor methyl [(3R,7S)-7-{[5-amino… · QEY A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 14 more

Residues it binds most

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

Found with

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

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