Ligand · A1A1A
A1A1A · 4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
A1A1A, 4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one (C22 H26 N6 O2, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…
- Component
- A1A1A
- Formula
- C22 H26 N6 O2
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1A1A in 1 structure; the first of them:
- 9D00 · HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 53 · A1A1A A901 · binds LEU23, GLY24, GLY25, GLY26, VAL31, ALA44, LYS46, GLU62 and 14 more
Residues it binds most
GLY 4, ALA 4, ASP 4, LEU 4, VAL 4, GLU 4, ASN 4, CYS 4, LYS 4, MET 4 (residue and the binding sites it lines).
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