PDB ligand accession: 0RO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: SRQYLNYQAPCPIR-UHFFFAOYSA-N
SMILES: CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4GQ3 | Download | Experimental | e4gq3A1 e4gq3A2 | Repetitive alpha hairpins Cysteine proteinases-like | LigPlot |