Ligand · A1IJ1
A1IJ1 · 3-[(1S)-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
A1IJ1, 3-[(1S)-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one (C28 H25 F N6 O3, 512.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1…
- Component
- A1IJ1
- Formula
- C28 H25 F N6 O3
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1IJ1 in 1 structure; the first of them:
- 9GDI · Human PI3KDELTA in complex with isocumarin inhibitor 10 · A1IJ1 A1101 · binds THR750, PHE751, MET752, PRO758, TRP760, ILE777, LYS779, ASP787 and 12 more
Residues it binds most
ASP 1, ILE 1, MET 1, VAL 1, ASN 1, GLU 1, LEU 1, LYS 1, PHE 1, PRO 1 (residue and the binding sites it lines).
Found with
- CL · Chloride ion
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