Ligand · A1A1D
A1A1D · 6-methoxy-4-[(methylamino)methyl]-2-(6-{4-[(2S)-4,4,4-trifluorobutan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
A1A1D, 6-methoxy-4-[(methylamino)methyl]-2-(6-{4-[(2S)-4,4,4-trifluorobutan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one (C22 H23 F3 N6 O2, 460.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record…
- Component
- A1A1D
- Formula
- C22 H23 F3 N6 O2
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1A1D in 1 structure; the first of them:
- 9CZU · HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9 · A1A1D A402 · binds LEU23, GLY24, GLY25, GLY26, VAL31, ALA44, LYS46, VAL75 and 13 more
Residues it binds most
GLY 4, ALA 4, ASP 4, LEU 4, VAL 4, ASN 4, CYS 4, GLU 4, LYS 4, MET 4 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
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