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Ligand · DMQ

DMQ · [4-R-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepinone

DMQ, [4-R-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepinone (C33 H36 N4 O3, 536.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB…

Component
DMQ
Formula
C33 H36 N4 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

DMQ in 6 structures; the first of them:

  • 1DMP · Structure of HIV-1 protease complex · DMQ B450 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 1MER · HIV-1 mutant (I84V) protease complexed with DMP450 · DMQ A450 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1RQ9 · Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site… · DMQ B111 · binds LEU23, ASN25, GLY27, ALA28, VAL84, ASN25, GLY27, ALA28 and 5 more
  • 1DMP · Structure of HIV-1 protease complex · DMQ B450 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 1MER · HIV-1 mutant (I84V) protease complexed with DMP450 · DMQ A450 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1RQ9 · Crystal structures of a multidrug-resistant HIV-1 protease reveal an expanded active site… · DMQ B111 · binds LEU23, ASN25, GLY27, ALA28, VAL84, ASN25, GLY27, ALA28 and 5 more

Residues it binds most

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

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