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Ligand · BEJ

BEJ · N,N-[2,5-O-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]

BEJ, N,N-[2,5-O-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane] (C42 H52 N6 O8, 768.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
BEJ
Formula
C42 H52 N6 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

BEJ in 2 structures; the first of them:

  • 1EC2 · HIV-1 protease in complex with the inhibitor BEA428 · BEJ B501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ILE47, GLY48 and 22 more
  • 1EC2 · HIV-1 protease in complex with the inhibitor BEA428 · BEJ B501 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ILE47, GLY48 and 22 more

Residues it binds most

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

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