Ligand · X3G

X3G · 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate

X3G, 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate (C23 H28 F N5 O4 S, 489.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component: X3G
Formula: C23 H28 F N5 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

X3G in 2 structures; the first of them:

4XG3 · Crystal structure of an inhibitor-bound Syk · X3G A701 · binds LEU377, VAL385, ALA400, VAL433, MET448, GLU449, MET450, ALA451 and 8 more
4XG3 · Crystal structure of an inhibitor-bound syk · X3G A701 · binds LEU377, VAL385, ALA400, VAL433, MET448, GLU449, MET450, ALA451 and 8 more

Residues it binds most

GLU 4, LEU 4, ALA 4, MET 4, VAL 4, LYS 4, ARG 4, ASN 4, ASP 4, GLY 4 (residue and the binding sites it lines).

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