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Ligand · 4S1

4S1 · (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol

4S1, (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol (C20 H25 N5 O3 S, 415.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4S1
Formula
C20 H25 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4S1 in 2 structures; the first of them:

  • 4ZTL · Irak4-inhibitor co-structure · 4S1 A501 · binds MET192, GLY193, GLU194, GLY195, VAL200, ALA211, LYS213, GLU233 and 13 more
  • 4ZTL · IRAK4-inhibitor co-structure · 4S1 A501 · binds MET192, GLY193, GLU194, GLY195, VAL200, ALA211, LYS213, GLU233 and 13 more

Residues it binds most

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

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