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Ligand · 9Y9

9Y9 · tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate

9Y9, tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate (C25 H33 F N2 O5 S, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
9Y9
Formula
C25 H33 F N2 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9Y9 in 2 structures; the first of them:

  • 3TH9 · Crystal Structure of HIV-1 Protease Mutant Q7K V32I L63I with a cyclic sulfonamide… · 9Y9 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 18 more
  • 3TH9 · Crystal structure of HIV-1 protease mutant Q7K V32I L63I with a cyclic sulfonamide… · 9Y9 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48 and 18 more

Residues it binds most

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

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