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Ligand · 616

616 · N-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide

616, N-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide (C19 H33 N3 O4 S, 399.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
616
Formula
C19 H33 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

616 in 2 structures; the first of them:

  • 1HV7 · Porcine pancreatic elastase complexed with GW311616A · 616 A256 · binds HIS60, VAL103, ALA104, TRP179, THR182, CYS199, GLN200, GLY201 and 6 more
  • 1HV7 · Porcine pancreatic elastase complexed with GW311616A · 616 A256 · binds HIS60, VAL103, ALA104, TRP179, THR182, CYS199, GLN200, GLY201 and 6 more

Residues it binds most

SER 2, THR 2, VAL 2, ALA 2, ASP 2, CYS 2, GLN 2, GLY 2, HIS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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