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Ligand · C0A

C0A · 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide

C0A, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide (C12 H16 Br F2 N2 O6 P S, 465.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
C0A
Formula
C12 H16 Br F2 N2 O6 P S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C0A in 2 structures; the first of them:

  • 4Y14 · Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633) · C0A A407 · binds TYR46, ASP48, VAL49, ASP181, PHE182, CYS215, SER216, ALA217 and 5 more
  • 4Y14 · Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633) · C0A A407 · binds TYR46, ASP48, VAL49, ASP181, PHE182, CYS215, SER216, ALA217 and 5 more

Residues it binds most

ASP 4, GLY 4, ALA 4, ARG 4, CYS 4, GLN 4, ILE 4, PHE 4, SER 4, TYR 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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