Ligand name: (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile
PDB ligand accession: 1BT
DrugBank: n/a
PubChem: 70680457
ChEMBL: n/a
InChI Key: FZDPEDQCVGYRLP-ONEGZZNKSA-N
SMILES: Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)C=CC#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein P03366

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4I2Q	Download	Experimental	e4i2qA5 e4i2qA7 e4i2qB6	Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits	LigPlot