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Ligand · AB2

AB2 · [1-((1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1H-1,2,3-triazol-4-yl]methyl (1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-ylcarbamate

AB2, [1-((1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1H-1,2,3-triazol-4-yl]methyl (1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-ylcarbamate (C34 H41 N5 O7 S, 663.8 g/mol), in the MolNFT structures on…

Component
AB2
Formula
C34 H41 N5 O7 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

AB2 in 4 structures; the first of them:

  • 1ZP8 · HIV Protease with inhibitor AB-2 · AB2 A200 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 5 more
  • 2HC0 · Structure of HIV protease 6X mutant in complex with AB-2. · AB2 A3500 · binds LEU1023, ASP1025, GLY1027, ALA1028, ASP1029, VAL1032, ILE1047, GLY1048 and 21 more
  • 1ZP8 · HIV protease with inhibitor ab-2 · AB2 A200 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 5 more
  • 2HC0 · Structure of HIV protease 6X mutant in complex with ab-2. · AB2 A3500 · binds LEU1023, ASP1025, GLY1027, ALA1028, ASP1029, VAL1032, ILE1047, GLY1048 and 21 more

Residues it binds most

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

Found with

  • BR · Bromide ion

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