Ligand name: 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
PDB ligand accession: 9AJ
DrugBank: DB14785
PubChem: 86567195
ChEMBL: CHEMBL4065122
InChI Key: WNEODWDFDXWOLU-QHCPKHFHSA-N
SMILES: CC1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P35991

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8GMB	Download	Experimental	e8gmbA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8S93	Download	Experimental	e8s93A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot