PDB ligand accession: 3UT
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JAZOCUNZCUBRJX-DEOSSOPVSA-N
SMILES: c1cc(c(nc1)F)c2ccc3c(c2)C4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6
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 |
---|---|---|---|---|---|
5UX4 | Download | Experimental | e5ux4A1 e5ux4A2 e5ux4B2 e5ux4B1 e5ux4B2 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |