Ligand · A3J
A3J · 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
A3J, 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile (C16 H17 F3 N4 O, 338.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…
- Component
- A3J
- Formula
- C16 H17 F3 N4 O
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
A3J in 2 structures; the first of them:
- 5WBQ · Structure of human Ketohexokinase complexed with hits from fragment screening · A3J A301 · binds ALA224, ALA226, ALA244, PRO246, PRO247, VAL250, THR253, ALA256 and 6 more
- 5WBQ · Structure of human ketohexokinase complexed with hits from fragment screening · A3J A301 · binds ALA224, ALA226, ALA244, PRO246, PRO247, VAL250, THR253, ALA256 and 6 more
Residues it binds most
ALA 4, GLY 4, PRO 4, CYS 4, PHE 4, THR 4, VAL 4, ASP 2, GLU 2 (residue and the binding sites it lines).
Found with
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