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Ligand · 4AU

4AU · 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone

4AU, 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone (C12 H9 N3 O, 211.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
4AU
Formula
C12 H9 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4AU in 2 structures; the first of them:

  • 4AUA · Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) · 4AU A1302 · binds ILE19, VAL27, ALA41, VAL77, PHE98, GLU99, HIS100, VAL101 and 6 more
  • 4AUA · Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) · 4AU A1302 · binds ILE19, VAL27, ALA41, VAL77, PHE98, GLU99, HIS100, VAL101 and 6 more

Residues it binds most

VAL 2, ALA 2, ASP 2, GLN 2, GLU 2, HIS 2, ILE 2, LEU 2, PHE 2 (residue and the binding sites it lines).

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