Ligand name: 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
PDB ligand accession: 1FR
DrugBank: DB06897
InChI Key: MMGKIHLBFPJYJL-HNNXBMFYSA-N
SMILES: CC(c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoxazolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P53350

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P53350	Download	Predicted	P53350_F1_nD2 P53350_F1_nD1	RIP/Polo-box domain Protein kinase/SAICAR synthase/ATP-grasp
1Q4K		Predicted	e1q4kA2 e1q4kC2 e1q4kB2 e1q4kB1 e1q4kA1 e1q4kC1
1Q4O		Predicted	e1q4oB2 e1q4oA2 e1q4oB1 e1q4oA1
1UMW		Predicted	e1umwA2 e1umwB2 e1umwA1 e1umwB1
2OJX		Predicted	e2ojxA2 e2ojxA1
2OU7		Predicted	e2ou7A1
2OWB		Predicted	e2owbA1
2RKU		Predicted	e2rkuA1
2V5Q		Predicted	e2v5qA1 e2v5qB1
2YAC		Predicted	e2yacA1
3BZI		Predicted	e3bziA2 e3bziA1
3C5L		Predicted	e3c5lA2 e3c5lA1
3FC2		Predicted	e3fc2A1
3FVH		Predicted	e3fvhA2 e3fvhA1
3HIH		Predicted	e3hihA2 e3hihB2 e3hihA1 e3hihB1
3HIK		Predicted	e3hikA2 e3hikA1
3KB7		Predicted	e3kb7A1
3P2W		Predicted	e3p2wA2 e3p2wA1
3P2Z		Predicted	e3p2zA2 e3p2zA1
3P34		Predicted	e3p34A2 e3p34A1
3P35		Predicted	e3p35B2 e3p35C2 e3p35A2 e3p35A1 e3p35B1 e3p35C1
3P36		Predicted	e3p36A2 e3p36A1
3P37		Predicted	e3p37B2 e3p37C2 e3p37A2 e3p37A1 e3p37B1 e3p37C1
3Q1I		Predicted	e3q1iA2 e3q1iA1
3RQ7		Predicted	e3rq7A2 e3rq7A1
3THB		Predicted	e3thbA1
4A4L		Predicted	e4a4lA1
4A4O		Predicted	e4a4oA1
4DFW		Predicted	e4dfwA2 e4dfwA1
4E67		Predicted	e4e67A4 e4e67A3
4E9C		Predicted	e4e9cA4 e4e9cA3
4E9D		Predicted	e4e9dA4 e4e9dA3
4H5X		Predicted	e4h5xB2 e4h5xB1 e4h5xA4 e4h5xA3
4H71		Predicted	e4h71B2 e4h71B1 e4h71A4 e4h71A3
4HAB		Predicted	e4habA2 e4habA1 e4habB4 e4habC4 e4habB3 e4habC3
4HCO		Predicted	e4hcoB2 e4hcoB1 e4hcoA4 e4hcoA3
4HY2		Predicted	e4hy2A4 e4hy2A3
4J52		Predicted	e4j52A1
4J53		Predicted	e4j53A1
4LKL		Predicted	e4lklA4 e4lklA3
4LKM		Predicted	e4lkmA4 e4lkmC4 e4lkmA3 e4lkmC3
4O56		Predicted	e4o56A2 e4o56A1
4O6W		Predicted	e4o6wA2 e4o6wA1
4O9W		Predicted	e4o9wA1 e4o9wA2
4RCP		Predicted	e4rcpA2 e4rcpA1
4WHH		Predicted	e4whhA2 e4whhA1
4WHK		Predicted	e4whkA2 e4whkA1
4WHL		Predicted	e4whlA2 e4whlA1
4X9R		Predicted	e4x9rA2 e4x9rA1
4X9V		Predicted	e4x9vA2 e4x9vA1
4X9W		Predicted	e4x9wA1 e4x9wA2
5J19		Predicted	e5j19A1 e5j19A2 e5j19B1 e5j19B2
5NEI		Predicted	e5neiA2 e5neiA1
5NFU		Predicted	e5nfuA1 e5nfuA2
5NJE		Predicted	e5njeA1 e5njeA2
5NMM		Predicted	e5nmmA1 e5nmmA2
5NN1		Predicted	e5nn1A1 e5nn1A2
5NN2		Predicted	e5nn2A1 e5nn2A2
5TA6		Predicted	e5ta6A1
5TA8		Predicted	e5ta8A1
6AX4		Predicted	e6ax4A2 e6ax4A1
6GY2		Predicted	e6gy2A2 e6gy2A1 e6gy2B1 e6gy2B2