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Ligand · PNU

PNU · 6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine

PNU, 6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine (C13 H11 Cl N4 O S, 306.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
PNU
Formula
C13 H11 Cl N4 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

PNU in 4 structures; the first of them:

  • 1IKX · K103N Mutant HIV-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721 · PNU A2000 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, ILE180 and 10 more
  • 3R8D · Activation of the Human Nuclear Xenobiotic Receptor PXR by the Reverse… · PNU A1 · binds LEU240, MET243, MET246, SER247, GLN285, PHE288, TRP299, HIS407 and 4 more
  • 1IKX · K103N mutant HIV-1 reverse transcriptase in complex with the inhibitor PNU142721 · PNU A2000 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, ILE180 and 10 more
  • 3R8D · Activation of the human nuclear xenobiotic receptor pxr by the reverse… · PNU A1 · binds LEU240, MET243, MET246, SER247, GLN285, PHE288, TRP299, HIS407 and 4 more

Residues it binds most

LEU 4, MET 2, PHE 4, TYR 2, VAL 2, HIS 4, ILE 4, LYS 2, PRO 2, TRP 4 (residue and the binding sites it lines).

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