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Ligand · 4B3

4B3 · 4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid

4B3, 4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid (C23 H28 Br N O5 S, 510.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
4B3
Formula
C23 H28 Br N O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4B3 in 2 structures; the first of them:

  • 2QBQ · Crystal structure of ptp1b-inhibitor complex · 4B3 A800 · binds ARG24, TYR46, ASP48, VAL49, GLU115, LYS120, ASP181, PHE182 and 11 more
  • 2QBQ · Crystal structure of PTP1B-inhibitor complex · 4B3 A800 · binds ARG24, TYR46, ASP48, VAL49, GLU115, LYS120, ASP181, PHE182 and 11 more

Residues it binds most

GLY 2, ARG 2, ASP 2, GLN 2, ALA 2, CYS 2, GLU 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

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