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Ligand · 3OV

3OV · 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one

3OV, 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one (C34 H33 F N6 O5, 624.7 g/mol), in the MolNFT structures on…

Component
3OV
Formula
C34 H33 F N6 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3OV in 2 structures; the first of them:

  • 4RFZ · Crystal structure of BTK kinase domain complexed with… · 3OV A701 · binds GLU407, LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416 and 18 more
  • 4RFZ · Crystal structure of btk kinase domain complexed with 6… · 3OV A701 · binds GLU407, LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416 and 18 more

Residues it binds most

GLY 2, LEU 2, VAL 2, ALA 2, ASP 2, GLU 2, SER 2, THR 2, TYR 2, ASN 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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