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Ligand · Q82

Q82 · {[4-R(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2H-1,3-diazepin-2-ylidene]cyanamide}

Q82, {[4-R(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2H-1,3-diazepin-2-ylidene]cyanamide} (C36 H38 N4 O4, 590.7 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
Q82
Formula
C36 H38 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q82 in 2 structures; the first of them:

  • 1HVH · Nonpeptide cyclic cyanoguanidines as HIV protease inhibitors · Q82 B265 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more
  • 1HVH · Nonpeptide cyclic cyanoguanidines as HIV protease inhibitors · Q82 B265 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more

Residues it binds most

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

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