Ligand · 3I3

3I3 · 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

3I3, 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (C19 H20 F3 N5 O2 S, 439.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component: 3I3
Formula: C19 H20 F3 N5 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3I3 in 2 structures; the first of them:

7RA5 · CDK2 in complex with compound 4 · 3I3 A301 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, LYS33, VAL64 and 11 more
7RA5 · CDK2 in complex with compound 4 · 3I3 A301 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, LYS33, VAL64 and 11 more

Residues it binds most

ALA 2, ASP 2, GLU 2, GLY 2, LEU 2, LYS 2, PHE 2, VAL 2, GLN 2, HIS 2 (residue and the binding sites it lines).

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