Ligand name: Entrectinib
PDB ligand accession: YMX
DrugBank: DB11986
PubChem: 25141092
ChEMBL: CHEMBL1983268
InChI Key: HAYYBYPASCDWEQ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F

ClassyFire chemical classification:

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

List of proteins that are targets for YMX

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P04629_YMX	P04629	High affinity nerve	inhibitor
2	Q16620_YMX	Q16620	BDNF/NT-3 growth factors	inhibitor
3	Q07912_YMX	Q07912	Activated CDC42 kinase	n/a
4	Q16288_YMX	Q16288	NT-3 growth factor	inhibitor
5	P08922_YMX	P08922	Proto-oncogene tyrosine-protein kinase	inhibitor
6	Q9UM73_YMX	Q9UM73	ALK tyrosine kinase	inhibitor
7	O60674_YMX	O60674	Tyrosine-protein kinase JAK2	inhibitor