Ligand name: 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PDB ligand accession: VGG
DrugBank: DB08699
InChI Key: FYCOTGCSHZKHPR-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[3,4-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q13555

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q13555	Download	Predicted	Q13555_F1_nD1 Q13555_F1_nD2	Protein kinase/SAICAR synthase/ATP-grasp Cystatin-like
2UX0		Predicted	e2ux0A1 e2ux0B1 e2ux0C1 e2ux0D1 e2ux0F1 e2ux0E1
2V7O		Predicted	e2v7oA1