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Ligand · DMP

DMP · [4-R-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2H-1,3-diazepinone

DMP, [4-R-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2H-1,3-diazepinone (C35 H38 N2 O5, 566.7 g/mol), in the MolNFT structures on GenesisL1: bound in 14…

Component
DMP
Formula
C35 H38 N2 O5
Class
ligand
Structures
14
PDB entries
7

Binding sites

DMP in 14 structures; the first of them:

  • 1BVE · HIV-1 protease-DMP323 complex in solution, NMR, 28 structures · DMP B100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 19 more
  • 1BVG · HIV-1 protease-DMP323 complex in solution, NMR minimized average structure · DMP B100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more
  • 1MES · HIV-1 mutant (I84V) protease complexed with DMP323 · DMP B323 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 19 more
  • 1MET · HIV-1 mutant (V82F) protease complexed with DMP323 · DMP A323 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 18 more
  • 1MEU · HIV-1 mutant (V82F, I84V) protease complexed with DMP323 · DMP A323 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 1QBS · HIV-1 protease inhibitors wiih low nanomolar potency · DMP A323 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 18 more
  • 3JVW · HIV-1 Protease Mutant G86A with symmetric inhibitor DMP323 · DMP A323 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 1BVE · HIV-1 protease-DMP323 complex in solution, NMR, 28 structures · DMP B100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 19 more
  • 1BVG · HIV-1 protease-DMP323 complex in solution, NMR minimized average structure · DMP B100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more
  • 1MES · HIV-1 mutant (I84V) protease complexed with DMP323 · DMP B323 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 19 more
  • 1MET · HIV-1 mutant (V82F) protease complexed with DMP323 · DMP A323 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 18 more
  • 1MEU · HIV-1 mutant (V82F, I84V) protease complexed with DMP323 · DMP A323 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 1QBS · HIV-1 protease inhibitors wiih low nanomolar potency · DMP A323 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 18 more
  • 3JVW · HIV-1 protease mutant G86A with symmetric inhibitor DMP323 · DMP A323 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more

Residues it binds most

ASP 14, GLY 14, ILE 14, VAL 14, ALA 14, PRO 14, LEU 8, PHE 4, ARG 6, THR 4 (residue and the binding sites it lines).

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