PDB ligand accession: 2HL
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UROBXDPDOFZURE-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoyl derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4N9E | Download | Experimental | e4n9eA3 e4n9eB2 e4n9eA1 e4n9eA3 e4n9eB3 | TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |