Ligand name: Gilteritinib
PDB ligand accession: C6F
DrugBank: DB12141
InChI Key: GYQYAJJFPNQOOW-UHFFFAOYSA-N
SMILES: CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5
Drug action: inhibitor

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9UM73

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q9UM73	Download	Predicted	Q9UM73_F1_nD7 Q9UM73_F1_nD5	Protein kinase/SAICAR synthase/ATP-grasp jelly-roll
2XB7		Predicted	e2xb7A1
2XBA		Predicted	e2xbaA1
2XP2		Predicted	e2xp2A1
2YFX		Predicted	e2yfxA1
2YHV		Predicted	e2yhvA1
2YJR		Predicted	e2yjrA1
2YJS		Predicted	e2yjsA2
3AOX		Predicted	e3aoxA1
3L9P		Predicted	e3l9pA1
3LCS		Predicted	e3lcsA1
3LCT		Predicted	e3lctA1
4ANL		Predicted	e4anlA2
4ANQ		Predicted	e4anqA1
4ANS		Predicted	e4ansA2
4CCB		Predicted	e4ccbA1
4CCU		Predicted	e4ccuA1
4CD0		Predicted	e4cd0A1
4CLI		Predicted	e4cliA1
4CLJ		Predicted	e4cljA1
4CMO		Predicted	e4cmoA1
4CMT		Predicted	e4cmtA1
4CMU		Predicted	e4cmuA1
4CNH		Predicted	e4cnhB1 e4cnhA1
4CTB		Predicted	e4ctbA1
4CTC		Predicted	e4ctcA1
4DCE		Predicted	e4dceA1 e4dceB2
4FNW		Predicted	e4fnwA1
4FNX		Predicted	e4fnxA2
4FNY		Predicted	e4fnyA2
4FNZ		Predicted	e4fnzA2
4FOB		Predicted	e4fobA1
4FOC		Predicted	e4focA2
4FOD		Predicted	e4fodA2
4JOA		Predicted	e4joaA1
4MKC		Predicted	e4mkcA1
4TT7		Predicted	e4tt7A1
4Z55		Predicted	e4z55A1
5A9U		Predicted	e5a9uA1
5AA8		Predicted	e5aa8A1
5AA9		Predicted	e5aa9A1
5AAA		Predicted	e5aaaA1
5AAB		Predicted	e5aabA1
5AAC		Predicted	e5aacA1
5FTO		Predicted	e5ftoA1
5FTQ		Predicted	e5ftqA1
5IMX		Predicted	e5imxA1
5IUG		Predicted	e5iugA1
5IUH		Predicted	e5iuhA1
5IUI		Predicted	e5iuiA1
5KZ0		Predicted	e5kz0A1
6CDT		Predicted	e6cdtA1
6E0R		Predicted	e6e0rA1
6EBW		Predicted	e6ebwA1
6EDL		Predicted	e6edlA1
6MX8		Predicted	e6mx8A1