PDB ligand accession: NF5
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: YMOUEQZHQYODQT-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzazepines
- Subclass: None
- Class: Benzazepines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4D2W | Download | Experimental | e4d2wA2 e4d2wD2 e4d2wB2 e4d2wC2 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |