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Ligand · 8TN

8TN · 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino) methyl]phenyl]-3-methyl-5-oxidanylidene-[1, 3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile

8TN, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino) methyl]phenyl]-3-methyl-5-oxidanylidene-[1, 3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile (C24 H25 N7 O S, 459.6 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
8TN
Formula
C24 H25 N7 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8TN in 2 structures; the first of them:

  • 5NCZ · mPI3Kd IN COMPLEX WITH inh1 · 8TN A1105 · binds THR750, PHE751, MET752, PRO758, LEU759, TRP760, ILE777, TYR813 and 11 more
  • 5NCZ · MPI3KD in complex with INH1 · 8TN A1105 · binds THR750, PHE751, MET752, PRO758, TRP760, ILE777, TYR813, ILE825 and 8 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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