PDB ligand accession: 10W
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DWVJKKOFIHHAKC-UUOWRZLLSA-N
SMILES: CN1C(=O)C2CN(CC2(NC1=N)c3ccc(s3)c4ccc(c(c4)C#N)F)c5ccccc5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolidines
- Subclass: Phenylpyrrolidines
- Class: Pyrrolidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4H3J | Download | Experimental | e4h3jA2 e4h3jA3 e4h3jB2 e4h3jB3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |