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Ligand · QAG

QAG · 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile

QAG, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (C24 H16 F N5 O S, 441.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
QAG
Formula
C24 H16 F N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QAG in 2 structures; the first of them:

  • 6UL5 · Crystal structure of HIV-1 reverse transcriptase (RT) in complex with… · QAG A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL179, TYR181 and 12 more
  • 6UL5 · Crystal structure of HIV-1 reverse transcriptase (rt) in complex with… · QAG A601 · binds LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188, PHE227 and 6 more

Residues it binds most

TYR 2, LEU 2, LYS 2, VAL 2, PRO 2, GLU 2, HIS 2, PHE 2, TRP 2, GLY 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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