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

ClassyFire chemical classification:

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

List of proteins that are targets for RXT

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	O15075_RXT	O15075	n/a	Kd(nM) = 68.0
2	P00523_RXT	P00523	n/a
3	P52333_RXT	P52333	inhibitor	Ki(nM) = 3.2 IC50(nM) = 2.0 Kd(nM) = 2.0
4	O60674_RXT	O60674	inhibitor	Ki(nM) = 0.1 IC50(nM) = 0.036 Kd(nM) = 0.036 EC50(nM) = 12.0
5	P23458_RXT	P23458	inhibitor	Ki(nM) = 0.09 IC50(nM) = 0.09 Kd(nM) = 3.4 EC50(nM) = 24.0
6	P29597_RXT	P29597	inhibitor	Ki(nM) = 0.5 IC50(nM) = 0.4 Kd(nM) = 0.9