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Ligand · NK8

NK8 · 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide

NK8, 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide (C27 H28 F3 N5 O4 S, 575.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
NK8
Formula
C27 H28 F3 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NK8 in 2 structures; the first of them:

  • 3QRS · HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based… · NK8 B100 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 18 more
  • 3QRS · HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based… · NK8 B100 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 18 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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