PDB ligand accession: GTB
DrugBank: DB03686
PubChem:
ChEMBL: n/a
InChI Key: OAWORKDPTSAMBZ-STQMWFEESA-N
SMILES: c1cc(ccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[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 |
---|---|---|---|---|---|
1K0C | Download | Experimental | e1k0cA2 e1k0cB1 e1k0cA1 e1k0cB2 e1k0cA2 e1k0cB1 e1k0cA1 e1k0cC2 e1k0cD1 e1k0cC1 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |