Ligand · 9KO

9KO · N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide

9KO, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide (C33 H32 F3 N9 O3, 659.7 g/mol), in the MolNFT structures on GenesisL1…

Component: 9KO
Formula: C33 H32 F3 N9 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

9KO in 2 structures; the first of them:

5ZXB · Crystal structure of ACK1 with compound 10d · 9KO A401 · binds LEU132, VAL140, ALA156, VAL157, LYS158, GLU177, MET181, LEU184 and 17 more
5ZXB · Crystal structure of ACK1 with compound 10D · 9KO A401 · binds LEU132, VAL140, ALA156, VAL157, LYS158, GLU177, MET181, LEU184 and 15 more

Residues it binds most

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

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