PDB ligand accession: BDQ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: CTKHUQYUPSHMQE-XMMPIXPASA-N
SMILES: CC(C)CC1(C(=O)N(C(=N)N1)Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: N-phenylureas
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3L5C | Download | Experimental | e3l5cA2 e3l5cA3 e3l5cB2 e3l5cB3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |