PDB ligand accession: M7H
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: HEAGFUMRBLFGAD-UHFFFAOYSA-N
SMILES: CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolopyrazines
- Subclass: None
- Class: Pyrrolopyrazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6T13 | Download | Experimental | e6t13B2 e6t13C2 e6t13A2 e6t13D2 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |