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Ligand · 189

189 · N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide

189, N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide (C33 H43 N3 O4 S, 577.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
189
Formula
C33 H43 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

189 in 2 structures; the first of them:

  • 1XL2 · HIV-1 Protease in complex with pyrrolidinmethanamine · 189 A1001 · binds ARG8, LEU23, ASP25, GLY27, ALA28, VAL32, ILE47, GLY48 and 19 more
  • 1XL2 · HIV-1 protease in complex with pyrrolidinmethanamine · 189 A1001 · binds ARG8, LEU23, ASP25, GLY27, ALA28, VAL32, ILE47, GLY48 and 19 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • GOL · Glycerol

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