PDB ligand accession: 0RI
DrugBank: DB15982
PubChem:
ChEMBL:
InChI Key: UXNXMBYCBRBRFD-MUUNZHRXSA-N
SMILES: c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)C(c4cccc(c4)C#N)NCC5CC5)CN
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7N7X | Download | Experimental | e7n7xAAA1 | cradle loop barrel | LigPlot |