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Ligand · F72

F72 · N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide

F72, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide (C31 H35 N3 O5 S2, 593.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
F72
Formula
C31 H35 N3 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

F72 in 2 structures; the first of them:

  • 3SA4 · Crystal structure of wild-type HIV-1 protease in complex with AF72 · F72 B200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
  • 3SA4 · Crystal structure of wild-type HIV-1 protease in complex with AF72 · F72 B200 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more

Residues it binds most

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

Found with

  • PO4 · Phosphate ion
  • ACT · Acetate ion

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