Ligand · JKW

JKW · 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one

JKW, 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one (C21 H23 F3 N4 O2 S2, 484.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: JKW
Formula: C21 H23 F3 N4 O2 S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

JKW in 2 structures; the first of them:

6QXK · Human PIM1 bound to OX0999 · JKW B401 · binds LEU44, GLY48, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 13 more
6QXK · Human PIM1 bound to OX0999 · JKW B401 · binds LEU44, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120, GLU121 and 9 more

Residues it binds most

LEU 2, ASP 2, GLU 2, ILE 2, VAL 2, ARG 2, LYS 2, ALA 2, ASN 2, GLN 2 (residue and the binding sites it lines).

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