PDB ligand accession: GAS
DrugBank: DB07816
PubChem:
ChEMBL:
InChI Key: KGHMYJFHUHFOGL-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylmethanes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2CGR | Download | Experimental | e2cgrL1 e2cgrH1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |