Ligand name: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
PDB ligand accession: PGJ
DrugBank: DB08395
InChI Key: ZSOXFJURLPCSOO-UHFFFAOYSA-N
SMILES: CCOCN1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q16539	Download	Predicted	Q16539_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
1A9U		Predicted	e1a9uA1
1BL6		Predicted	e1bl6A1
1BL7		Predicted	e1bl7A1
1BMK		Predicted	e1bmkA1
1DI9		Predicted	e1di9A1
1IAN		Predicted	e1ianA1
1KV1		Predicted	e1kv1A1
1KV2		Predicted	e1kv2A1
1M7Q		Predicted	e1m7qA1
1OUK		Predicted	e1oukA1
1OUY		Predicted	e1ouyA1
1OVE		Predicted	e1oveA1
1OZ1		Predicted	e1oz1A1
1R39		Predicted	e1r39A1
1R3C		Predicted	e1r3cA1
1W7H		Predicted	e1w7hA1
1W82		Predicted	e1w82A1
1W83		Predicted	e1w83A1
1W84		Predicted	e1w84A1
1WBN		Predicted	e1wbnA1
1WBO		Predicted	e1wboA1
1WBS		Predicted	e1wbsA1
1WBT		Predicted	e1wbtA1
1WBV		Predicted	e1wbvA1
1WBW		Predicted	e1wbwA1
1WFC		Predicted	e1wfcA1
1YQJ		Predicted	e1yqjA1
1ZYJ		Predicted	e1zyjA1
1ZZ2		Predicted	e1zz2A1
1ZZL		Predicted	e1zzlA1
2BAJ		Predicted	e2bajA1
2BAK		Predicted	e2bakA1
2BAL		Predicted	e2balA1
2BAQ		Predicted	e2baqA1
2FSL		Predicted	e2fslX1
2FSM		Predicted	e2fsmX1
2FSO		Predicted	e2fsoX1
2FST		Predicted	e2fstX1
2GFS		Predicted	e2gfsA1
2I0H		Predicted	e2i0hA1
2LGC		Predicted	e2lgcA1
2NPQ		Predicted	e2npqA1
2OKR		Predicted	e2okrA1 e2okrD1
2ONL		Predicted	e2onlB1 e2onlA1
2QD9		Predicted	e2qd9A1
2RG5		Predicted	e2rg5A1
2RG6		Predicted	e2rg6A1
2Y8O		Predicted	e2y8oA2
2YIS		Predicted	e2yisA1
2YIW		Predicted	e2yiwA1
2YIX		Predicted	e2yixA1
2ZAZ		Predicted	e2zazA1
2ZB0		Predicted	e2zb0A1
2ZB1		Predicted	e2zb1A1
3BV2		Predicted	e3bv2A1
3BV3		Predicted	e3bv3A1
3BX5		Predicted	e3bx5A1
3C5U		Predicted	e3c5uA1
3CTQ		Predicted	e3ctqA1
3D7Z		Predicted	e3d7zA1
3D83		Predicted	e3d83A1
3DS6		Predicted	e3ds6A1 e3ds6C1 e3ds6D1 e3ds6B1
3DT1		Predicted	e3dt1A1
3E92		Predicted	e3e92A1
3E93		Predicted	e3e93A1
3FC1		Predicted	e3fc1X1
3FI4		Predicted	e3fi4A1
3FKL		Predicted	e3fklA1
3FKN		Predicted	e3fknA1
3FKO		Predicted	e3fkoA1
3FL4		Predicted	e3fl4A1
3FLN		Predicted	e3flnC1
3FLQ		Predicted	e3flqA1
3FLS		Predicted	e3flsA1
3FLW		Predicted	e3flwA1
3FLY		Predicted	e3flyA1
3FLZ		Predicted	e3flzA1
3FMH		Predicted	e3fmhA1
3FMJ		Predicted	e3fmjA1
3FMK		Predicted	e3fmkA1
3FML		Predicted	e3fmlA1
3FMM		Predicted	e3fmmA1
3FMN		Predicted	e3fmnA1
3FSF		Predicted	e3fsfA1
3FSK		Predicted	e3fskA1
3GC7		Predicted	e3gc7A1
3GCP		Predicted	e3gcpA1
3GCQ		Predicted	e3gcqA1
3GCS		Predicted	e3gcsA1
3GCU		Predicted	e3gcuA1 e3gcuB1
3GCV		Predicted	e3gcvA1
3GFE		Predicted	e3gfeA1
3GI3		Predicted	e3gi3A1
3HA8		Predicted	e3ha8A1
3HEC		Predicted	e3hecA1
3HEG		Predicted	e3hegA1
3HL7		Predicted	e3hl7A1
3HLL		Predicted	e3hllA1
3HP2		Predicted	e3hp2A1
3HP5		Predicted	e3hp5A1
3HRB		Predicted	e3hrbA1
3HUB		Predicted	e3hubA1
3HUC		Predicted	e3hucA1
3HV3		Predicted	e3hv3A1
3HV4		Predicted	e3hv4A1 e3hv4B1
3HV5		Predicted	e3hv5A1 e3hv5B1
3HV6		Predicted	e3hv6A1
3HV7		Predicted	e3hv7A1
3HVC		Predicted	e3hvcA1
3IPH		Predicted	e3iphA1
3ITZ		Predicted	e3itzA1
3IW5		Predicted	e3iw5A1
3IW6		Predicted	e3iw6A1
3IW7		Predicted	e3iw7A1
3IW8		Predicted	e3iw8A1
3K3I		Predicted	e3k3iA1
3K3J		Predicted	e3k3jA1
3KF7		Predicted	e3kf7A1
3KQ7		Predicted	e3kq7A1
3L8S		Predicted	e3l8sA1
3L8X		Predicted	e3l8xA1
3LFA		Predicted	e3lfaA1
3LFB		Predicted	e3lfbA1
3LFC		Predicted	e3lfcA1
3LFD		Predicted	e3lfdA1
3LFE		Predicted	e3lfeA1
3LFF		Predicted	e3lffA1
3LHJ		Predicted	e3lhjA1
3MGY		Predicted	e3mgyA1
3MH0		Predicted	e3mh0A1
3MH1		Predicted	e3mh1A1
3MH2		Predicted	e3mh2A1
3MH3		Predicted	e3mh3A1
3MPA		Predicted	e3mpaA1
3MPT		Predicted	e3mptA1
3MVL		Predicted	e3mvlA1 e3mvlB1
3MVM		Predicted	e3mvmA1 e3mvmB1
3MW1		Predicted	e3mw1A1
3NEW		Predicted	e3newA1
3NNU		Predicted	e3nnuA1
3NNV		Predicted	e3nnvA1
3NNW		Predicted	e3nnwA1
3NNX		Predicted	e3nnxA1
3NWW		Predicted	e3nwwA1
3O8P		Predicted	e3o8pA1
3O8T		Predicted	e3o8tA1
3O8U		Predicted	e3o8uA1
3OBG		Predicted	e3obgA1
3OBJ		Predicted	e3objA1
3OC1		Predicted	e3oc1A1
3OCG		Predicted	e3ocgA1
3OD6		Predicted	e3od6X1
3ODY		Predicted	e3odyX1
3ODZ		Predicted	e3odzX1
3OEF		Predicted	e3oefX1
3PG3		Predicted	e3pg3A1
3QUD		Predicted	e3qudA2
3QUE		Predicted	e3queA2
3RIN		Predicted	e3rinA2
3ROC		Predicted	e3rocA1
3S3I		Predicted	e3s3iA1
3S4Q		Predicted	e3s4qA2
3U8W		Predicted	e3u8wA2
3UVP		Predicted	e3uvpA1
3UVQ		Predicted	e3uvqA2
3UVR		Predicted	e3uvrA1
3ZS5		Predicted	e3zs5A2
3ZSG		Predicted	e3zsgA2
3ZSH		Predicted	e3zshA2
3ZSI		Predicted	e3zsiA2
3ZYA		Predicted	e3zyaA1
4A9Y		Predicted	e4a9yA2
4AA0		Predicted	e4aa0A2
4AA4		Predicted	e4aa4A1
4AA5		Predicted	e4aa5A1
4AAC		Predicted	e4aacA1
4DLI		Predicted	e4dliA2
4DLJ		Predicted	e4dljA1
4E5A		Predicted	e4e5aX1
4E5B		Predicted	e4e5bA2
4E6A		Predicted	e4e6aA2
4E6C		Predicted	e4e6cA2
4E8A		Predicted	e4e8aA2
4EH2		Predicted	e4eh2A2
4EH3		Predicted	e4eh3A1
4EH4		Predicted	e4eh4A2
4EH5		Predicted	e4eh5A2
4EH6		Predicted	e4eh6A2
4EH7		Predicted	e4eh7A2
4EH8		Predicted	e4eh8A2
4EH9		Predicted	e4eh9A2
4EHV		Predicted	e4ehvA2
4EWQ		Predicted	e4ewqA1
4F9W		Predicted	e4f9wA2
4F9Y		Predicted	e4f9yA2
4FA2		Predicted	e4fa2A2
4GEO		Predicted	e4geoA1
4KIN		Predicted	e4kinD1 e4kinB1 e4kinC1 e4kinA1
4KIP		Predicted	e4kipA1 e4kipB1
4KIQ		Predicted	e4kiqA1 e4kiqB1 e4kiqC1 e4kiqD1
4L8M		Predicted	e4l8mA1
4R3C		Predicted	e4r3cA1
4ZTH		Predicted	e4zthA1
5ETA		Predicted	e5etaB1 e5etaA1
5ETC		Predicted	e5etcA1
5ETF		Predicted	e5etfA1
5ETI		Predicted	e5etiA1
5ML5		Predicted	e5ml5A1
5MTX		Predicted	e5mtxA1
5MTY		Predicted	e5mtyA1
5MZ3		Predicted	e5mz3A1
5N63		Predicted	e5n63A1
5N64		Predicted	e5n64A1
5N65		Predicted	e5n65A1
5N66		Predicted	e5n66A1
5N67		Predicted	e5n67A1
5N68		Predicted	e5n68A1
5O8U		Predicted	e5o8uA1
5O8V		Predicted	e5o8vA1
5OMG		Predicted	e5omgA1
5OMH		Predicted	e5omhA1
5TBE		Predicted	e5tbeA1
5TCO		Predicted	e5tcoA1
5WJJ		Predicted	e5wjjA1
5XYX		Predicted	e5xyxA1
5XYY		Predicted	e5xyyA1
6ANL		Predicted	e6anlA1
6HWT		Predicted	e6hwtA1
6HWU		Predicted	e6hwuA1
6HWV		Predicted	e6hwvA1
6M95		Predicted	e6m95A1
6M9L		Predicted	e6m9lA1
6OHD		Predicted	e6ohdA1
6SFI		Predicted	e6sfiA1
6SFJ		Predicted	e6sfjA1
6SFK		Predicted	e6sfkA1
6SFO		Predicted	e6sfoA1