Ligand · 4S2

4S2 · 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one

4S2, 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one (C20 H23 N5 O4 S, 429.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: 4S2
Formula: C20 H23 N5 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

4S2 in 2 structures; the first of them:

4ZTM · Irak4-inhibitor co-structure · 4S2 A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, VAL246, TYR262 and 12 more
4ZTM · IRAK4-inhibitor co-structure · 4S2 A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, VAL246, TYR262 and 12 more

Residues it binds most

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

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