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Ligand · 41A

41A · 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one

41A, 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one (C13 H18 N2 O2 S, 266.4 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
41A
Formula
C13 H18 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

41A in 2 structures; the first of them:

  • 3DPD · Achieving multi-isoform PI3K inhibition in a series of substituted… · 41A A2040 · binds MET804, SER806, PRO810, ILE831, LYS833, ASP841, TYR867, ILE879 and 7 more
  • 3DPD · Achieving multi-isoform PI3K inhibition in a series of substituted… · 41A A2040 · binds MET804, SER806, PRO810, ILE831, LYS833, ASP841, TYR867, ILE879 and 7 more

Residues it binds most

ILE 2, ASP 2, MET 2, GLU 2, LYS 2, PHE 2, PRO 2, SER 2, TYR 2, VAL 2 (residue and the binding sites it lines).

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