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Ligand · 61U

61U · 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile

61U, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile (C27 H31 F N6 O2, 490.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
61U
Formula
C27 H31 F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

61U in 2 structures; the first of them:

  • 7VDS · The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 · 61U A301 · binds GLU8, ILE10, VAL18, ALA31, LYS33, GLU51, VAL64, PHE80 and 11 more
  • 7VDS · The structure of cyclin-dependent kinase 5 (CDK5) in complex with P25 and compound 24 · 61U A301 · binds GLU8, ILE10, VAL18, ALA31, LYS33, GLU51, VAL64, PHE80 and 11 more

Residues it binds most

ASP 2, GLU 2, GLN 2, LYS 2, PHE 2, VAL 2, ALA 2, ASN 2, CYS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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