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

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q16288

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q16288	Download	Predicted	Q16288_F1_nD4	Protein kinase/SAICAR synthase/ATP-grasp
1WWC		Predicted	e1wwcA1
3V5Q		Predicted	e3v5qA1 e3v5qB2
4YMJ		Predicted	e4ymjA1 e4ymjB1
6KZC		Predicted	e6kzcA1
6KZD		Predicted	e6kzdA1