PDB ligand accession: R8U
DrugBank: DB12817
PubChem:
ChEMBL:
InChI Key: ZSWMIFNWDQEXDT-ZESJGQACSA-N
SMILES: CC1CN2c3c(cc4c(c3F)onc4N5C(COC5=O)C)CC6(C2C(O1)C)C(=O)NC(=O)NC6=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Hydroquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8BP2 | Download | Experimental | e8bp2DDD1 e8bp2AAA3 e8bp2CCC1 e8bp2BBB1 e8bp2AAA3 e8bp2CCC1 | HAD domain-related HTH HTH HAD domain-related HTH HTH | LigPlot |