Ligand · 614
614 · 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one
614, 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one (C23 H31 N7 O2, 437.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…
- Component
- 614
- Formula
- C23 H31 N7 O2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
614 in 2 structures; the first of them:
- 3MJ1 · X-ray crystal structure of ITK complexed with inhibitor RO5191614 · 614 A1 · binds ILE369, GLY370, SER371, GLY372, VAL377, ALA389, LYS391, VAL419 and 10 more
- 3MJ1 · X-ray crystal structure of itk complexed with inhibitor RO5191614 · 614 A1 · binds ILE369, GLY370, SER371, GLY372, VAL377, ALA389, LYS391, VAL419 and 10 more
Residues it binds most
GLY 2, GLU 2, PHE 2, SER 2, VAL 2, ALA 2, CYS 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).
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