Ligand name: Entrectinib
PDB ligand accession: YMX
DrugBank: DB11986
InChI Key: HAYYBYPASCDWEQ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein O60674

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
O60674	Download	Predicted	O60674_F1_nD5 O60674_F1_nD6	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp
2B7A		Predicted	e2b7aB1 e2b7aA1
2W1I		Predicted	e2w1iA1 e2w1iB1
2XA4		Predicted	e2xa4B1 e2xa4A1
3E62		Predicted	e3e62A1
3E63		Predicted	e3e63A1
3E64		Predicted	e3e64A1
3FUP		Predicted	e3fupB1 e3fupA1
3IO7		Predicted	e3io7A1
3IOK		Predicted	e3iokA1
3JY9		Predicted	e3jy9A1
3KCK		Predicted	e3kckA1
3KRR		Predicted	e3krrA1
3LPB		Predicted	e3lpbA1 e3lpbB1
3Q32		Predicted	e3q32A1 e3q32B1
3RVG		Predicted	e3rvgA1
3TJC		Predicted	e3tjcA1 e3tjcB1
3TJD		Predicted	e3tjdA1 e3tjdB1
3UGC		Predicted	e3ugcA1
3ZMM		Predicted	e3zmmA1 e3zmmB1
4AQC		Predicted	e4aqcA1 e4aqcB1
4BBE		Predicted	e4bbeA1 e4bbeC1 e4bbeB1 e4bbeD1
4BBF		Predicted	e4bbfA1 e4bbfD1 e4bbfB1 e4bbfC1
4C61		Predicted	e4c61A1 e4c61B1
4C62		Predicted	e4c62A1 e4c62B1
4D0W		Predicted	e4d0wA1
4D0X		Predicted	e4d0xA1
4D1S		Predicted	e4d1sA1
4E4M		Predicted	e4e4mA1 e4e4mE1 e4e4mB1 e4e4mD1
4E6D		Predicted	e4e6dB1 e4e6dA1
4E6Q		Predicted	e4e6qA1 e4e6qB1
4F08		Predicted	e4f08A1 e4f08B1
4F09		Predicted	e4f09A1
4FVP		Predicted	e4fvpA1
4FVQ		Predicted	e4fvqA1
4FVR		Predicted	e4fvrA1
4GFM		Predicted	e4gfmA1
4GMY		Predicted	e4gmyA1
4HGE		Predicted	e4hgeA1 e4hgeB1
4IVA		Predicted	e4ivaA1
4JI9		Predicted	e4ji9B1 e4ji9A1
4JIA		Predicted	e4jiaA1
4P7E		Predicted	e4p7eB1 e4p7eA1
4YTC		Predicted	e4ytcA1
4YTF		Predicted	e4ytfA1
4YTH		Predicted	e4ythA1
4YTI		Predicted	e4ytiA1
4Z32		Predicted	e4z32A1 e4z32B1 e4z32C1 e4z32D1 e4z32E1 e4z32F1 e4z32G1 e4z32H1 e4z32A2 e4z32B2 e4z32C2 e4z32D2 e4z32E2 e4z32F2 e4z32G2 e4z32H2 e4z32A3 e4z32B3 e4z32C3 e4z32D3 e4z32E3 e4z32F3 e4z32G3 e4z32H3 e4z32A4 e4z32B4 e4z32C4 e4z32D4 e4z32E4 e4z32F4 e4z32G4 e4z32H4
4ZIM		Predicted	e4zimA1 e4zimB1
5AEP		Predicted	e5aepA1
5CF4		Predicted	e5cf4A1 e5cf4B1
5CF5		Predicted	e5cf5A1 e5cf5B1
5CF6		Predicted	e5cf6A1 e5cf6B1
5CF8		Predicted	e5cf8A1 e5cf8B1
5HEZ		Predicted	e5hezA1 e5hezB1 e5hezC1 e5hezD1
5I4N		Predicted	e5i4nA1
5L3A		Predicted	e5l3aA1
5TQ3		Predicted	e5tq3A1 e5tq3B1
5TQ4		Predicted	e5tq4A1
5TQ5		Predicted	e5tq5A1
5TQ6		Predicted	e5tq6A1 e5tq6B1
5TQ7		Predicted	e5tq7B1 e5tq7A1
5TQ8		Predicted	e5tq8A1
5USY		Predicted	e5usyA1 e5usyB1
5USZ		Predicted	e5uszA1
5UT0		Predicted	e5ut0A1
5UT1		Predicted	e5ut1A1
5UT2		Predicted	e5ut2A1
5UT3		Predicted	e5ut3A1
5UT4		Predicted	e5ut4A1
5UT5		Predicted	e5ut5A1
5UT6		Predicted	e5ut6A1
5WEV		Predicted	e5wevA1
5WIJ		Predicted	e5wijA1
5WIK		Predicted	e5wikB1
5WIL		Predicted	e5wilA1
5WIM		Predicted	e5wimA1
5WIN		Predicted	e5winA1
6AAJ		Predicted	e6aajB1 e6aajA1
6BBV		Predicted	e6bbvA1
6BRW		Predicted	e6brwA1
6BS0		Predicted	e6bs0A1
6BSS		Predicted	e6bssA1
6D2I		Predicted	e6d2iA1 e6d2iB1
6DRW		Predicted	e6drwA1
6E2P		Predicted	e6e2pB2 e6e2pA4 e6e2pB1 e6e2pA1 e6e2pB3 e6e2pA2 e6e2pB4 e6e2pA3
6E2Q		Predicted	e6e2qA2 e6e2qB4 e6e2qC4 e6e2qD3 e6e2qA4 e6e2qB1 e6e2qC1 e6e2qD2 e6e2qA1 e6e2qB2 e6e2qC3 e6e2qD4 e6e2qA3 e6e2qB3 e6e2qC2 e6e2qD1
6G3C		Predicted	e6g3cA1 e6g3cB1
6M9H		Predicted	e6m9hA1