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Ligand · A69

A69 · N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide

A69, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide (C33 H33 N3 O5 S2, 615.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
A69
Formula
C33 H33 N3 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A69 in 2 structures; the first of them:

  • 3SA5 · Crystal structure of wild-type HIV-1 protease in complex with AF69 · A69 B200 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 3SA5 · Crystal structure of wild-type HIV-1 protease in complex with AF69 · A69 B200 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more

Residues it binds most

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

Found with

  • PO4 · Phosphate ion
  • ACT · Acetate ion

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