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Ligand · 65B

65B · 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile

65B, 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile (C20 H15 Br N6 O, 435.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues…

Component
65B
Formula
C20 H15 Br N6 O
Class
ligand
Structures
8
PDB entries
4

Binding sites

65B in 8 structures; the first of them:

  • 1SV5 · Crystal structure of K103N mutant HIV-1 reverse transcriptase (rt) in complex with… · 65B A600 · binds LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, TYR181, TYR188 and 7 more
  • 3M8P · HIV-1 RT with NNRTI TMC-125 · 65B A562 · binds LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179, ILE180 and 11 more
  • 3MEC · HIV-1 Reverse Transcriptase in Complex with TMC125 · 65B A561 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 12 more
  • 3MED · HIV-1 K103N Reverse Transcriptase in Complex with TMC125 · 65B A561 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, ILE180 and 12 more
  • 1SV5 · Crystal structure of K103N mutant HIV-1 reverse transcriptase (rt) in complex with… · 65B A600 · binds LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, TYR181, TYR188 and 7 more
  • 3M8P · HIV-1 rt with nnrti tmc-125 · 65B A562 · binds LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179, ILE180 and 11 more
  • 3MEC · HIV-1 reverse transcriptase in complex with TMC125 · 65B A561 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 12 more
  • 3MED · HIV-1 K103N reverse transcriptase in complex with TMC125 · 65B A561 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, ILE180 and 12 more

Residues it binds most

VAL 8, TYR 8, LYS 8, LEU 8, PRO 8, HIS 8, PHE 8, TRP 8, GLU 6, GLY 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CL · Chloride ion

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