PDB ligand accession: 1SX
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VNFVQSRTHCEODA-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KRS | Download | Experimental | e4krsA1 e4krsB1 | ADP-ribosylation ADP-ribosylation | LigPlot |