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Ligand · JE4

JE4 · 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

JE4, 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C18 H20 Cl2 N6 O, 407.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
JE4
Formula
C18 H20 Cl2 N6 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

JE4 in 1 structure; the first of them:

  • 6MDB · Non-receptor protein tyrosine phosphatase SHP2 in complex with allosteric inhibitor… · JE4 A601 · binds ARG111, PHE113, HIS114, LEU216, THR218, THR219, GLU249, GLU250 and 6 more

Residues it binds most

THR 2, GLU 2, GLN 2, LEU 2, ARG 2, HIS 2, LYS 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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