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Ligand · JHG

JHG · 4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide

JHG, 4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide (C28 H31 F3 N4 O3 S, 560.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
JHG
Formula
C28 H31 F3 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JHG in 2 structures; the first of them:

  • 3QBF · HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based… · JHG A100 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 19 more
  • 3QBF · HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based… · JHG A100 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 19 more

Residues it binds most

ASP 2, GLY 2, ILE 2, VAL 2, ALA 2, LEU 2, ARG 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol

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