Ligand · XJ3

XJ3 · N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine

XJ3, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine (C25 H34 N6 O2, 450.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: XJ3
Formula: C25 H34 N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

XJ3 in 2 structures; the first of them:

7FAI · CARM1 bound with compound 9 · XJ3 A501 · binds TYR149, PHE152, TYR153, MET162, GLU257, PRO258, MET259, GLY260 and 12 more
7FAI · CARM1 bound with compound 9 · XJ3 A501 · binds TYR149, PHE152, TYR153, MET162, GLU257, PRO258, MET259, TYR261 and 9 more

Residues it binds most

TYR 8, MET 8, GLU 8, PHE 8, PRO 8, ASN 8, HIS 8, LYS 8, TRP 8, THR 7 (residue and the binding sites it lines).

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