PDB ligand accession: DTY
DrugBank: DB03839
PubChem: 71098;6919035;
ChEMBL:
InChI Key: OUYCCCASQSFEME-MRVPVSSYSA-N
SMILES: c1cc(ccc1CC(C(=O)O)N)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5E4N | Download | Experimental | e5e4nA1 e5e4nB1 e5e4nB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5E40 | Download | Experimental | e5e40A1 e5e40B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |