PDB ligand accession: B42
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: TXEOLWVIZKSKML-XMMPIXPASA-N
SMILES: CC(C)CCC1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thiadiazines
- Subclass: Benzothiadiazines
- Class: Thiadiazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3GYN | Download | Experimental | e3gynA1 e3gynA2 e3gynB1 e3gynB2 | helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits | LigPlot |