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Ligand · NK7

NK7 · 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide

NK7, 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide (C27 H26 F6 N4 O3 S, 600.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
NK7
Formula
C27 H26 F6 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NK7 in 2 structures; the first of them:

  • 3QRM · HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based… · NK7 A100 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 19 more
  • 3QRM · HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based… · NK7 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
  • DTD · Dithiane diol

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