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Ligand · 63I

63I · (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1, 6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

63I, (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1, 6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (C25 H27 F N6 O, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
63I
Formula
C25 H27 F N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

63I in 2 structures; the first of them:

  • 7VDR · The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 · 63I A301 · binds ILE10, TYR15, VAL18, ALA31, LYS33, GLU51, VAL64, PHE80 and 12 more
  • 7VDR · The structure of cyclin-dependent kinase 5 (CDK5) in complex with P25 and compound 13 · 63I A301 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 9 more

Residues it binds most

ASP 4, LYS 4, GLN 4, PHE 4, VAL 4, GLU 4, ALA 4, ASN 4, CYS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PGE · Triethylene glycol

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