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Ligand · PD5

PD5 · 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

PD5, 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea (C22 H20 F3 N7 O, 455.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
PD5
Formula
C22 H20 F3 N7 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

PD5 in 4 structures; the first of them:

  • 3EL8 · Crystal structure of c-Src in complex with pyrazolopyrimidine 5 · PD5 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, GLU310, VAL313, MET314 and 17 more
  • 3QLF · Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with… · PD5 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, MET314, ILE317, LEU322 and 13 more
  • 3EL8 · Crystal structure of C-src in complex with pyrazolopyrimidine 5 · PD5 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, GLU310, VAL313, MET314 and 17 more
  • 3QLF · Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with… · PD5 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, MET314, ILE317, LEU322 and 13 more

Residues it binds most

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

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