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Ligand · 831

831 · N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

831, N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (C29 H24 F3 N5 O, 515.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
831
Formula
C29 H24 F3 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

831 in 2 structures; the first of them:

  • 3II5 · The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor · 831 A1 · binds ILE462, GLY463, VAL470, ALA480, LYS482, GLU500, LEU504, THR507 and 12 more
  • 3II5 · The complex of wild-type B-RAF with pyrazolo pyrimidine inhibitor · 831 A1 · binds ILE462, GLY463, VAL470, ALA480, LYS482, GLU500, LEU504, THR507 and 12 more

Residues it binds most

ILE 4, LEU 4, GLY 4, THR 4, VAL 4, ALA 4, ASP 4, CYS 4, GLU 4, HIS 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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