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Ligand · 4S3

4S3 · 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one

4S3, 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one (C20 H24 N6 O2 S, 412.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
4S3
Formula
C20 H24 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4S3 in 2 structures; the first of them:

  • 4ZTN · Irak4-inhibitor co-structure · 4S3 A501 · binds MET192, GLY193, VAL200, ALA211, LYS213, VAL246, TYR262, VAL263 and 9 more
  • 4ZTN · IRAK4-inhibitor co-structure · 4S3 A501 · binds MET192, GLY193, VAL200, ALA211, LYS213, VAL246, TYR262, VAL263 and 9 more

Residues it binds most

VAL 8, GLY 8, MET 8, SER 8, TYR 8, ALA 8, ASP 8, LEU 8, LYS 8, PRO 8 (residue and the binding sites it lines).

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