PDB ligand accession: LJY
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DHTDEOJRSYUVPD-UHFFFAOYSA-N
SMILES: COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Quinolones and derivatives
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6O2Y | Download | Experimental | e6o2yA1 e6o2yA2 e6o2yB1 e6o2yA2 e6o2yB1 e6o2yB2 e6o2yC1 e6o2yC2 | Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like | LigPlot |