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Ligand · 1C2

1C2 · 3(S)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

1C2, 3(S)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (C16 H23 N3 O6 S, 385.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
1C2
Formula
C16 H23 N3 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1C2 in 2 structures; the first of them:

  • 2F6T · Protein tyrosine phosphatase 1B with sulfamic acid inhibitors · 1C2 A608 · binds TYR46, ASP48, VAL49, ASP181, PHE182, CYS215, SER216, ALA217 and 7 more
  • 2F6T · Protein tyrosine phosphatase 1B with sulfamic acid inhibitors · 1C2 A608 · binds TYR46, ASP48, VAL49, ASP181, PHE182, CYS215, SER216, ALA217 and 7 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • CL · Chloride ion

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