PDB ligand accession: 7AC
DrugBank: DB07239
PubChem:
ChEMBL:
InChI Key: YJLVMTVZVJSNHG-UHFFFAOYSA-N
SMILES: Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: None
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3CCC | Download | Experimental | e3cccA2 e3cccA1 e3cccB2 e3cccB1 e3cccC2 e3cccC1 e3cccD2 e3cccD1 | alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like | LigPlot |