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Ligand · 443

443 · 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one

443, 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one (C22 H26 Cl N3 O5 S, 480.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
443
Formula
C22 H26 Cl N3 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

443 in 2 structures; the first of them:

  • 3KL6 · Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and… · 443 A1 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 12 more
  • 3KL6 · Discovery of tetrahydropyrimidin-2(1H)-one derivative tak-442: a potent, selective and… · 443 A1 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 12 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TYR 2, ALA 2, ASP 2, GLN 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol

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