PDB ligand accession: 6ZZ
DrugBank: DB11730
InChI Key: RHXHGRAEPCAFML-UHFFFAOYSA-N
SMILES: CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
Drug action: antagonist
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 |
---|---|---|---|---|
P11802 | Download | Predicted | P11802_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
2W96 | Predicted | e2w96B1 | ||
2W99 | Predicted | e2w99B1 | ||
2W9F | Predicted | e2w9fB1 | ||
2W9Z | Predicted | e2w9zB1 | ||
3G33 | Predicted | e3g33A1 e3g33C1 | ||
5FWK | Predicted | e5fwkK1 | ||
5FWL | Predicted | e5fwlK1 | ||
5FWM | Predicted | e5fwmK1 | ||
5FWP | Predicted | e5fwpK1 | ||
6P8E | Predicted | e6p8eB1 | ||
6P8F | Predicted | e6p8fB1 | ||
6P8G | Predicted | e6p8gB1 | ||
6P8H | Predicted | e6p8hB1 |