PDB ligand accession: VB7
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: HKKCQZRJLCIYQD-NPDZVAPOSA-N
SMILES: c1ccc2c(c1)CCOC2c3cc(sc3)C(=O)c4cncnc4NC5CC(C(C5)O)COS(=O)(=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrans
- Subclass: 2-benzopyrans
- Class: Benzopyrans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6XOH | Download | Experimental | e6xohB2 e6xohC1 | Rossmann-like beta-Grasp | LigPlot |