PDB ligand accession: IQO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BIWGYFZAEWGBAL-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Benzylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3O96 | Download | Experimental | e3o96A1 e3o96A2 | Protein kinase/SAICAR synthase/ATP-grasp PH domain-like | LigPlot |