PDB ligand accession: BC0
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: BXZWDXRSYVMRMU-UHFFFAOYSA-N
SMILES: CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thienopyrimidines
- Subclass: None
- Class: Thienopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6JAV | Download | Experimental | e6javA1 e6javA2 | TIM beta/alpha-barrel FKBP-like | LigPlot |