GL1X · GenesisL1 explorer

Ligand · XV6

XV6 · [4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-D iyl] bis(methylene)]bis[n-2-thiazolylbenzamide]

XV6, [4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-D iyl] bis(methylene)]bis[n-2-thiazolylbenzamide] (C41 H38 N6 O5 S2, 758.9 g/mol), in the MolNFT structures on…

Component
XV6
Formula
C41 H38 N6 O5 S2
Class
ligand
Structures
8
PDB entries
4

Binding sites

XV6 in 8 structures; the first of them:

  • 1BV7 · Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases… · XV6 A638 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, LYS45, ILE47 and 19 more
  • 1BV9 · HIV-1 protease (I84V) complexed with XV638 of dupont pharmaceuticals · XV6 A638 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, LYS45 and 23 more
  • 1BWA · HIV-1 protease (V82F/I84V) double mutant complexed with XV638 of dupont pharmaceuticals · XV6 B638 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, LYS45, ILE47 and 19 more
  • 1QBR · HIV-1 protease inhibitors wiih low nanomolar potency · XV6 A638 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1BV7 · Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases… · XV6 A638 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, LYS45, ILE47 and 19 more
  • 1BV9 · HIV-1 protease (I84V) complexed with XV638 of dupont pharmaceuticals · XV6 A638 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, LYS45 and 23 more
  • 1BWA · HIV-1 protease (V82F/I84V) double mutant complexed with XV638 of dupont pharmaceuticals · XV6 B638 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, LYS45, ILE47 and 19 more
  • 1QBR · HIV-1 protease inhibitors wiih low nanomolar potency · XV6 A638 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more

Residues it binds most

ASP 8, GLY 8, ILE 8, VAL 8, ALA 8, PRO 8, LYS 8, ARG 6, LEU 4, PHE 2 (residue and the binding sites it lines).

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