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Ligand · DBD

DBD · 7-(1,1-dioxo-1H-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid

DBD, 7-(1,1-dioxo-1H-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid (C18 H14 N2 O9 S2, 466.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
DBD
Formula
C18 H14 N2 O9 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

DBD in 2 structures; the first of them:

  • 1L8G · Crystal structure of PTP1B complexed with 7-(1,1-Dioxo-1H-benzo[d]isothiazol-3-yloxymethyl… · DBD A322 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 7 more
  • 1L8G · Crystal structure of PTP1B complexed with 7-(1,1-dioxo-1H… · DBD A322 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 7 more

Residues it binds most

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

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