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 |
---|---|---|---|---|---|
6GG4 | Download | Experimental | e6gg4A2 e6gg4A3 e6gg4B2 e6gg4B3 e6gg4C1 e6gg4C2 e6gg4D1 e6gg4D2 | TIM beta/alpha-barrel PK C-terminal domain-like TIM beta/alpha-barrel PK C-terminal domain-like TIM beta/alpha-barrel PK C-terminal domain-like PK C-terminal domain-like TIM beta/alpha-barrel | LigPlot |
4FXJ | Download | Experimental | e4fxjA2 e4fxjA3 e4fxjB1 e4fxjB2 e4fxjC1 e4fxjC3 e4fxjD1 e4fxjD3 | PK C-terminal domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel PK C-terminal domain-like PK C-terminal domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel PK C-terminal domain-like | LigPlot |