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Ligand · 16W

16W · 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

16W, 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C17 H18 Cl N5 O2, 359.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
16W
Formula
C17 H18 Cl N5 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

16W in 4 structures; the first of them:

  • 4HNF · Crystal structure of ck1d in complex with pf4800567 · 16W A301 · binds ILE15, GLY16, SER17, ILE23, ALA36, LYS38, LEU49, GLU52 and 8 more
  • 4HNI · crystal structure of ck1e in complex with PF4800567 · 16W A301 · binds ILE15, GLY16, ILE23, ALA36, ILE37, LYS38, TYR56, MET80 and 9 more
  • 4HNF · Crystal structure of CK1D in complex with PF4800567 · 16W A301 · binds ILE15, GLY16, SER17, ILE23, ALA36, LYS38, LEU49, GLU52 and 8 more
  • 4HNI · Crystal structure of CK1E in complex with PF4800567 · 16W A301 · binds ILE15, GLY16, ILE23, ALA36, ILE37, LYS38, TYR56, MET80 and 9 more

Residues it binds most

ILE 8, LEU 8, MET 8, GLU 8, GLY 8, ALA 8, ASP 6, LYS 8, TYR 8, VAL 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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