PDB ligand accession: 1M6
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LASIJFPKQNWUQE-OAQYLSRUSA-N
SMILES: CC1(CC2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrans
- Subclass: 1-benzopyrans
- Class: Benzopyrans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4JPC | Download | Experimental | e4jpcA2 e4jpcA3 | cradle loop barrel cradle loop barrel | LigPlot |