Ligand name: Belumosudil
PDB ligand accession: ICQ
DrugBank: DB16703
InChI Key: GKHIVNAUVKXIIY-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)COc1cccc(c1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein O75116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
O75116	Download	Predicted	O75116_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
4L6Q		Predicted	e4l6qA1 e4l6qB1
4WOT		Predicted	e4wotA1 e4wotB1 e4wotC1 e4wotD1
5U7Q		Predicted	e5u7qA1 e5u7qC1 e5u7qD1 e5u7qB1
5U7R		Predicted	e5u7rA1 e5u7rB1 e5u7rC1 e5u7rD1
6ED6		Predicted	e6ed6A1 e6ed6B1