Ligand name: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one
PDB ligand accession: VEN
DrugBank: n/a
PubChem: 141754136
ChEMBL: CHEMBL4558527
InChI Key: XOMFDZJQLSPGGV-INIZCTEOSA-N
SMILES: Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)C(C)C6CC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoindoles and derivatives
      • Subclass: Isoindolines

List of PDB structures and/or AlphaFold models with target protein O35904

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7OIL	Download	Experimental	e7oilAAA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot