PDB ligand accession: DTR
DrugBank: DB03225
PubChem: 9060;6923517;
ChEMBL:
InChI Key: QIVBCDIJIAJPQS-SECBINFHSA-N
SMILES: c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolyl carboxylic 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 |
---|---|---|---|---|---|
5E5G | Download | Experimental | e5e5gA1 e5e5gB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5E7Z | Download | Experimental | e5e7zA1 e5e7zB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |