PDB ligand accession: 1XP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: LTVIGJUDBNCHPV-UHFFFAOYSA-N
SMILES: COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4LI7 | Download | Experimental | e4li7A1 e4li7B1 | ADP-ribosylation ADP-ribosylation | LigPlot |