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Ligand · 23K

23K · 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea

23K, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea (C27 H38 F N3 O4 S, 519.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
23K
Formula
C27 H38 F N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

23K in 2 structures; the first of them:

  • 4MC6 · HIV protease in complex with SA499 · 23K A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 4MC6 · HIV protease in complex with SA499 · 23K A101 · 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, ARG 2, LEU 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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