Ligand · 3P0
3P0 · 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile
3P0, 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile (C36 H38 F N7 O3, 635.7 g/mol), in…
- Component
- 3P0
- Formula
- C36 H38 F N7 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3P0 in 2 structures; the first of them:
- 4RG0 · Crystal structure of BTK kinase domain complexed with… · 3P0 A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 19 more
- 4RG0 · Crystal structure of btk kinase domain complexed with 2-[8-fluoro-2… · 3P0 A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 19 more
Residues it binds most
GLY 2, LEU 2, ALA 2, ASN 2, ASP 2, SER 2, THR 2, TYR 2, VAL 2, ARG 2 (residue and the binding sites it lines).
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