Ligand · 3P6
3P6 · (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
3P6, (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide (C25 H27 F2 N5 O3 S, 515.6 g/mol), in the MolNFT…
- Component
- 3P6
- Formula
- C25 H27 F2 N5 O3 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3P6 in 2 structures; the first of them:
- 4RFM · ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]… · 3P6 A701 · binds GLN367, ILE369, GLY370, PHE374, VAL377, LEU379, ALA389, LYS391 and 10 more
- 4RFM · Itk kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian… · 3P6 A701 · binds GLN367, ILE369, GLY370, PHE374, VAL377, LEU379, ALA389, LYS391 and 10 more
Residues it binds most
PHE 2, GLU 2, GLY 2, LEU 2, VAL 2, ALA 2, GLN 2, HIS 2, ILE 2, LYS 2 (residue and the binding sites it lines).
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