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Ligand · 3T1

3T1 · (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3T1, (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (C26 H23 Cl N2 O3, 446.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3T1
Formula
C26 H23 Cl N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3T1 in 2 structures; the first of them:

  • 3T11 · Dimeric inhibitor of HIV-1 protease. · 3T1 A101 · binds GLY27, ALA28, ASP29, VAL32, ILE47, GLY48, GLY49, ILE50 and 12 more
  • 3T11 · Dimeric inhibitor of HIV-1 protease. · 3T1 A101 · binds GLY27, ALA28, ASP29, VAL32, ILE47, GLY48, GLY49, ILE50 and 12 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • BME · Beta-mercaptoethanol

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