Ligand name: 1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
PDB ligand accession: KHE
DrugBank: n/a
PubChem: 132088378
ChEMBL: n/a
InChI Key: MQWQEBHHQHORKK-YWEHKCAJSA-N
SMILES: c1ccc(cc1)c2ccc(cc2)CN3CCC(C(C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

List of proteins that are targets for KHE

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P23458_KHE	P23458	Tyrosine-protein kinase JAK1	n/a