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Ligand · B90

B90 · N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine

B90, N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine (C23 H22 N7 O P, 443.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
B90
Formula
C23 H22 N7 O P
Class
ligand
Structures
2
PDB entries
1

Binding sites

B90 in 2 structures; the first of them:

  • 3KF4 · Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl… · B90 A1 · binds LEU248, GLY249, TYR253, VAL256, ALA269, VAL270, LYS271, GLU286 and 14 more
  • 3KF4 · Structural analysis of dfg-in and dfg-out dual src-abl inhibitors sharing a common vinyl… · B90 A1 · binds LEU248, GLY249, TYR253, VAL256, ALA269, VAL270, LYS271, GLU286 and 14 more

Residues it binds most

VAL 4, ALA 4, GLU 4, GLY 4, LEU 4, MET 4, PHE 4, THR 4, TYR 4, ASP 4 (residue and the binding sites it lines).

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