Ligand name: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
PDB ligand accession: RXT
DrugBank: DB08877
PubChem: 25126798
ChEMBL: CHEMBL1789941
InChI Key: HFNKQEVNSGCOJV-OAHLLOKOSA-N
SMILES: c1c[nH]c2c1c(ncn2)c3cnn(c3)C(CC#N)C4CCCC4
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: Pyrrolo[2,3-d]pyrimidines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein O60674

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VGL	Download	Experimental	e6vglD1 e6vglB1 e6vglA1 e6vglC1 e6vglA1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6WTN	Download	Experimental	e6wtnA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6VNK	Download	Experimental	e6vnkD1 e6vnkB1 e6vnkC1 e6vnkA1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot