PDB ligand accession: IEO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: LJQBAOLMNHGSQC-UHFFFAOYSA-N
SMILES: c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4BIB | Download | Experimental | e4bibA1 e4bibB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |