PDB ligand accession: XRA
DrugBank: DB00457
InChI Key: IENZQIKPVFGBNW-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
Q12809 | Download | Predicted | Q12809_F1_nD1 Q12809_F1_nD2 | Profilin-like jelly-roll |
1BYW | Predicted | e1bywA1 | ||
2L0W | Predicted | e2l0wA1 | ||
2L1M | Predicted | e2l1mA1 | ||
2L4R | Predicted | e2l4rA1 | ||
2N7G | Predicted | e2n7gA1 | ||
4HP9 | Predicted | e4hp9A1 | ||
4HQA | Predicted | e4hqaA2 | ||
5VA1 | Predicted | e5va1A1 e5va1A3 e5va1A2 | ||
5VA2 | Predicted | e5va2A1 e5va2A3 e5va2A2 | ||
5VA3 | Predicted | e5va3A1 e5va3A3 e5va3A2 |