PDB ligand accession: 1M4
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GCJNGEZDKLVQNN-CQSZACIVSA-N
SMILES: CC1(CC2(c3cc(ccc3O1)Br)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 |
---|---|---|---|---|---|
4JOO | Download | Experimental | e4jooA2 e4jooA3 | cradle loop barrel cradle loop barrel | LigPlot |