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Ligand · 146

146 · [4R-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[n-1H-benzimidazol-2-ylbenzamide]

146, [4R-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[n-1H-benzimidazol-2-ylbenzamide] (C49 H44 N8 O5, 824.9 g/mol), in the MolNFT structures on…

Component
146
Formula
C49 H44 N8 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

146 in 4 structures; the first of them:

  • 1BWB · HIV-1 protease (V82F/I84V) double mutant complexed with SD146 of dupont pharmaceuticals · 146 B641 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 1QBT · HIV-1 protease inhibitors wiih low nanomolar potency · 146 B300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 26 more
  • 1BWB · HIV-1 protease (V82F/I84V) double mutant complexed with SD146 of dupont pharmaceuticals · 146 B641 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 1QBT · HIV-1 protease inhibitors wiih low nanomolar potency · 146 B300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 26 more

Residues it binds most

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

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