PDB ligand accession: 9WD
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MAJOOHMQVBMIGI-JGCGQSQUSA-N
SMILES: CC(=O)N1CCC(CC1)C(c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O
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 |
---|---|---|---|---|---|
5W4R | Download | Experimental | e5w4rA1 e5w4rB1 | Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain | LigPlot |