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 Q13464

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q13464	Download	Predicted	Q13464_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
2ESM		Predicted	e2esmA1 e2esmB1
2ETK		Predicted	e2etkA1 e2etkB1
2ETR		Predicted	e2etrA1 e2etrB1
2V55		Predicted	e2v55A1 e2v55C1
3D9V		Predicted	e3d9vA1 e3d9vB1
3NCZ		Predicted	e3nczA1 e3nczB1 e3nczD1 e3nczC1
3NDM		Predicted	e3ndmB1 e3ndmD1 e3ndmC1 e3ndmA2
3TV7		Predicted	e3tv7A1 e3tv7B2 e3tv7C2 e3tv7D2
3TWJ		Predicted	e3twjA1 e3twjC2 e3twjB2 e3twjD2
3V8S		Predicted	e3v8sA1 e3v8sB2 e3v8sD2 e3v8sC2
4W7P		Predicted	e4w7pA1 e4w7pD1 e4w7pB1 e4w7pC1
4YVC		Predicted	e4yvcA1 e4yvcB1
4YVE		Predicted	e4yveA1 e4yveB1
5BML		Predicted	e5bmlA1 e5bmlB1
5HVU		Predicted	e5hvuA1 e5hvuB1
5KKS		Predicted	e5kksB1 e5kksA1
5KKT		Predicted	e5kktB1 e5kktA1
5UZJ		Predicted	e5uzjA1 e5uzjB1
5WNE		Predicted	e5wneC1 e5wneA1 e5wneB1 e5wneD1
5WNF		Predicted	e5wnfA1 e5wnfB1 e5wnfD1 e5wnfC1
5WNG		Predicted	e5wngA1 e5wngB1 e5wngD1 e5wngC1
5WNH		Predicted	e5wnhD1 e5wnhB1 e5wnhA1 e5wnhC1
6E9W		Predicted	e6e9wA1 e6e9wB1