PDB ligand accession: PHE
DrugBank: DB00120
PubChem: 6140;6925665;
ChEMBL:
InChI Key: COLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES: c1ccc(cc1)CC(C(=O)O)N
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 |
---|---|---|---|---|---|
2YPO | Download | Experimental | e2ypoB1 e2ypoA1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
3KGF | Download | Experimental | e3kgfA1 e3kgfB1 e3kgfB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
3RZI | Download | Experimental | e3rziA1 e3rziB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5CKX | Download | Experimental | e5ckxA1 e5ckxB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5CKV | Download | Experimental | e5ckvA1 e5ckvB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
3NUD | Download | Experimental | e3nudA1 e3nudB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |