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Ligand · TBH

TBH · 5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid

TBH, 5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid (C31 H47 N3 O9, 605.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
TBH
Formula
C31 H47 N3 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

TBH in 2 structures; the first of them:

  • 1JF7 · Human PTP1B catalytic domain complexed with PNU177836 · TBH B800 · binds ASN193, PHE196, GLU200, PHE280, ILE281, ARG24, ARG45, TYR46 and 14 more
  • 1JF7 · Human PTP1B catalytic domain complexed with PNU177836 · TBH B800 · binds ASN193, PHE196, GLU200, PHE280, ILE281, ARG24, ARG45, TYR46 and 14 more

Residues it binds most

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

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