Ligand · 3S1
3S1 · 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one
3S1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one (C16 H13 N O2, 251.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…
- Component
- 3S1
- Formula
- C16 H13 N O2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3S1 in 2 structures; the first of them:
- 3SC1 · Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery · 3S1 A900 · binds LEU88, GLY89, GLU90, GLY91, VAL96, ALA109, VAL143, LEU159 and 7 more
- 3SC1 · Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery · 3S1 A900 · binds LEU88, GLY89, GLU90, GLY91, VAL96, ALA109, VAL143, LEU159 and 7 more
Residues it binds most
GLU 2, LEU 2, ALA 2, GLY 2, VAL 2, SER 2, THR 2, TYR 2 (residue and the binding sites it lines).
Found with
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