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Ligand · 32A

32A · 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide

32A, 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide (C13 H17 N3 O2 S, 279.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
32A
Formula
C13 H17 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

32A in 2 structures; the first of them:

  • 3GK1 · X-ray structure of bovine SBi132,Ca(2+)-S100B · 32A A94 · binds HIS42, PHE43, LEU44, MET79, ILE80, ALA83, CYS84, PHE87 and 1 more
  • 3GK1 · X-ray structure of bovine SBI132,CA(2+)-S100B · 32A A94 · binds HIS42, PHE43, LEU44, MET79, ILE80, ALA83, CYS84, PHE87 and 1 more

Residues it binds most

PHE 2, ALA 2, CYS 2, HIS 2, ILE 2, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CAC · Cacodylate ion

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