Ligand name: 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
PDB ligand accession: SU2
DrugBank: DB02058
InChI Key: AZGZGRJOCKSSHA-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P21802

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P21802	Download	Predicted	P21802_F1_nD5 P21802_F1_nD2	Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich
1DJS		Predicted	e1djsA2 e1djsA1
1E0O		Predicted	e1e0oD2 e1e0oB2 e1e0oB1 e1e0oD1
1EV2		Predicted	e1ev2F2 e1ev2H2 e1ev2G2 e1ev2E3 e1ev2G1 e1ev2H1 e1ev2F1 e1ev2E4
1GJO		Predicted	e1gjoA1
1II4		Predicted	e1ii4F2 e1ii4E2 e1ii4H2 e1ii4G2 e1ii4F1 e1ii4H1 e1ii4G1 e1ii4E1
1IIL		Predicted	e1iilE2 e1iilG2 e1iilF2 e1iilH2 e1iilH1 e1iilE1 e1iilF1 e1iilG1
1NUN		Predicted	e1nunB2 e1nunB1
1OEC		Predicted	e1oecA1
1WVZ		Predicted	e1wvzA1
2FDB		Predicted	e2fdbP2 e2fdbR2 e2fdbP1 e2fdbR1
2PSQ		Predicted	e2psqB1 e2psqA1
2PVF		Predicted	e2pvfA1
2PVY		Predicted	e2pvyA1 e2pvyB1 e2pvyC1 e2pvyD1
2PWL		Predicted	e2pwlA1 e2pwlB1
2PY3		Predicted	e2py3A1 e2py3B1
2PZ5		Predicted	e2pz5A1 e2pz5B1
2PZP		Predicted	e2pzpA1 e2pzpB1
2PZR		Predicted	e2pzrA1 e2pzrB1
2Q0B		Predicted	e2q0bA1 e2q0bB1
3B2T		Predicted	e3b2tB1 e3b2tA1
3CAF		Predicted	e3cafA1
3CLY		Predicted	e3clyA1
3CU1		Predicted	e3cu1A1 e3cu1C1
3DAR		Predicted	e3darA1 e3darB1
3EUU		Predicted	e3euuA1 e3euuB1
3OJ2		Predicted	e3oj2C2 e3oj2D2 e3oj2C1 e3oj2D1
3OJM		Predicted	e3ojmB3 e3ojmB4
3RI1		Predicted	e3ri1A1 e3ri1B1
4J23		Predicted	e4j23A2 e4j23A1
4J95		Predicted	e4j95D1 e4j95A1 e4j95B1 e4j95C1
4J96		Predicted	e4j96A1 e4j96B1
4J97		Predicted	e4j97D1 e4j97A1 e4j97B1 e4j97C1
4J98		Predicted	e4j98A1 e4j98B1
4J99		Predicted	e4j99B1 e4j99C1 e4j99A1 e4j99D1
4WV1		Predicted	e4wv1F1 e4wv1C1
5EG3		Predicted	e5eg3A1
5UGL		Predicted	e5uglA1 e5uglB1
5UGX		Predicted	e5ugxB1 e5ugxA1
5UHN		Predicted	e5uhnA1 e5uhnB1
5UI0		Predicted	e5ui0A1 e5ui0B1
6AGX		Predicted	e6agxA1 e6agxB1 e6agxC1 e6agxD1