Ligand · A1A1B
A1A1B · 4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
A1A1B, 4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one (C26 H32 N8 O, 472.6 g/mol), in the MolNFT…
- Component
- A1A1B
- Formula
- C26 H32 N8 O
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1A1B in 1 structure; the first of them:
- 9CZX · HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 21 · A1A1B A401 · binds LEU23, GLY24, GLY25, TYR28, VAL31, ALA44, LYS46, VAL75 and 13 more
Residues it binds most
ALA 2, GLY 2, ARG 1, ASP 2, GLU 3, LEU 2, VAL 2, PHE 3, ASN 2, CYS 2 (residue and the binding sites it lines).
Found with
- CL · Chloride ion
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