Ligand · R8E
R8E · 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
R8E, 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (C20 H13 Cl2 N5 O2, 426.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…
- Component
- R8E
- Formula
- C20 H13 Cl2 N5 O2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
R8E in 4 structures; the first of them:
- 3DRP · HIV reverse transcriptase in complex with inhibitor R8e · R8E A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more
- 3DRR · HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e · R8E A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more
- 3DRP · HIV reverse transcriptase in complex with inhibitor R8E · R8E A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more
- 3DRR · HIV reverse transcriptase Y181C mutant in complex with inhibitor R8E · R8E A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more
Residues it binds most
VAL 4, LYS 4, PRO 4, TYR 4, LEU 4, GLY 4, HIS 4, PHE 4, TRP 4, CYS 2 (residue and the binding sites it lines).
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