Ligand · A4J
A4J · 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl) pyridine-3-carbonitrile
A4J, 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl) pyridine-3-carbonitrile (C16 H19 F3 N4 O3, 372.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- A4J
- Formula
- C16 H19 F3 N4 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
A4J in 2 structures; the first of them:
- 5WBZ · Structure of human Ketohexokinase complexed with hits from fragment screening · A4J A301 · binds ASN107, ALA224, ALA226, GLU227, ALA244, PRO246, PRO247, VAL250 and 8 more
- 5WBZ · Structure of human ketohexokinase complexed with hits from fragment screening · A4J A301 · binds ASN107, ALA224, ALA226, GLU227, ALA244, PRO246, PRO247, VAL250 and 8 more
Residues it binds most
ALA 4, GLY 4, PRO 4, CYS 4, GLU 4, PHE 4, THR 4, VAL 4, ASN 2, ASP 2 (residue and the binding sites it lines).
Found with
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