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Ligand · R8D

R8D · 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile

R8D, 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile (C20 H12 Cl2 N4 O2, 411.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
R8D
Formula
C20 H12 Cl2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

R8D in 2 structures; the first of them:

  • 3DRS · HIV reverse transcriptase K103N mutant in complex with inhibitor R8D · R8D A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, LYS104, VAL106, VAL108 and 12 more
  • 3DRS · HIV reverse transcriptase K103N mutant in complex with inhibitor R8D · R8D A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, LYS104, VAL106, VAL108 and 12 more

Residues it binds most

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

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