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Ligand · 1LS

1LS · 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea

1LS, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea (C18 H22 N4 O2 S2, 390.5 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
1LS
Formula
C18 H22 N4 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1LS in 2 structures; the first of them:

  • 4JR5 · Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase… · 1LS A601 · binds TYR188, HIS191, PHE193, ARG196, ASP219, VAL242, ALA244, PRO273 and 7 more
  • 4JR5 · Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase… · 1LS A601 · binds TYR188, HIS191, PHE193, ARG196, ASP219, VAL242, ALA244, PRO273 and 7 more

Residues it binds most

ALA 4, ARG 4, ASP 4, ILE 4, TYR 4, PRO 4, HIS 4, PHE 4, SER 4, VAL 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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