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Ligand · A00

A00 · N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide

A00, N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide (C33 H44 N4 O6 S, 624.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
A00
Formula
C33 H44 N4 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A00 in 2 structures; the first of them:

  • 2QMP · Crystal Structure of HIV-1 protease complexed with PL-100 · A00 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, LYS45, MET46 and 22 more
  • 2QMP · Crystal structure of HIV-1 protease complexed with pl-100 · A00 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, LYS45, MET46 and 22 more

Residues it binds most

GLY 4, ILE 4, ASP 4, VAL 4, ALA 4, LEU 4, PRO 4, ARG 4, MET 4, LYS 2 (residue and the binding sites it lines).

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