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Ligand · IM1

IM1 · (2R,4S,5S,1'S)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-N-(1'-imidazo-2-yl)-2'-methylpropanamide

IM1, (2R,4S,5S,1'S)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-N-(1'-imidazo-2-yl)-2'-methylpropanamide (C31 H42 N4 O4, 534.7 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries).…

Component
IM1
Formula
C31 H42 N4 O4
Class
ligand
Structures
12
PDB entries
6

Binding sites

IM1 in 12 structures; the first of them:

  • 1BDL · HIV-1 (2:31-37) protease complexed with inhibitor SB203386 · IM1 A400 · binds GLY27, ALA28, ASP29, ASP30, LYS45, MET46, ILE47, GLY48 and 6 more
  • 1BDQ · HIV-1 (2:31-37, 47, 82) protease complexed with inhibitor SB203386 · IM1 B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 21 more
  • 1BDR · HIV-1 (2: 31, 33-37) protease complexed with inhibitor SB203386 · IM1 B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1SBG · An orally-bioavailable HIV-1 protease inhibitor containing an imidazole-derived peptide… · IM1 A400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1TCW · SIV protease complexed with inhibitor SB203386 · IM1 A400 · binds ASP25, GLY27, ALA28, ASP29, ASP30, ILE32, ILE46, VAL47 and 9 more
  • 1TCX · HIV triple mutant protease complexed with inhibitor SB203386 · IM1 A400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ILE32, VAL47 and 21 more
  • 1BDL · HIV-1 (2:31-37) protease complexed with inhibitor SB203386 · IM1 A400 · binds GLY27, ALA28, ASP29, ASP30, LYS45, MET46, ILE47, GLY48 and 6 more
  • 1BDQ · HIV-1 (2:31-37, 47, 82) protease complexed with inhibitor SB203386 · IM1 B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32 and 21 more
  • 1BDR · HIV-1 (2: 31, 33-37) protease complexed with inhibitor SB203386 · IM1 B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1SBG · An orally-bioavailable HIV-1 protease inhibitor containing an imidazole-derived peptide… · IM1 A400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1TCW · SIV protease complexed with inhibitor SB203386 · IM1 A400 · binds ASP25, GLY27, ALA28, ASP29, ASP30, ILE32, ILE46, VAL47 and 9 more
  • 1TCX · HIV triple mutant protease complexed with inhibitor SB203386 · IM1 A400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ILE32, VAL47 and 21 more

Residues it binds most

ILE 16, GLY 16, ASP 16, VAL 16, ALA 16, ARG 16, LEU 14, PRO 12, LYS 4, MET 4 (residue and the binding sites it lines).

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