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Ligand · V78

V78 · methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

V78, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl…

Component
V78
Formula
C40 H55 N5 O6 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

V78 in 4 structures; the first of them:

  • 4CPU · Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary… · V78 B1202 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 20 more
  • 4CPW · Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary… · V78 A1101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
  • 4CPU · Macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary… · V78 B1202 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 20 more
  • 4CPW · Macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary… · V78 A1101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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