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Ligand · J50

J50 · 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

J50, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (C20 H21 Cl N2 O3 S, 404.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
J50
Formula
C20 H21 Cl N2 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

J50 in 1 structure; the first of them:

  • 7EKV · Crystal structure of human PIN1 complexed with a covalent inhibitor · J50 A201 · binds LEU61, ASP112, CYS113, SER114, LEU122, GLN129, MET130, GLN131 and 3 more

Residues it binds most

GLN 1, LEU 1, SER 1, ASP 1, CYS 1, HIS 1, MET 1, PHE 1 (residue and the binding sites it lines).

Found with

  • PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol

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