Ligand · A1IJ5
A1IJ5 · 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one
A1IJ5, 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one (C33 H32 N8 O3, 588.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record…
- Component
- A1IJ5
- Formula
- C33 H32 N8 O3
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1IJ5 in 1 structure; the first of them:
- 9GCF · Human PI3KDELTA in complex with isocumarin inhibitor chf-6523 · A1IJ5 A1101 · binds THR750, PHE751, MET752, PRO758, TRP760, ILE777, LYS779, ASP787 and 12 more
Residues it binds most
ASP 1, ILE 1, MET 1, THR 1, VAL 1, GLU 1, LEU 1, LYS 1, PHE 1, PRO 1 (residue and the binding sites it lines).
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