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 |
---|---|---|---|---|---|
1GLQ | Download | Experimental | e1glqA2 e1glqA1 e1glqB1 e1glqB2 e1glqA1 e1glqB1 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |
8C5D | Download | Experimental | e8c5dA1 e8c5dA2 e8c5dB2 e8c5dA2 e8c5dB1 e8c5dB2 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
1GTI | Download | Experimental | e1gtiA2 e1gtiA1 e1gtiB1 e1gtiB2 e1gtiA1 e1gtiB1 e1gtiC2 e1gtiC1 e1gtiD1 e1gtiD2 e1gtiC1 e1gtiD1 e1gtiE2 e1gtiF1 e1gtiE1 e1gtiF2 e1gtiE2 e1gtiF1 e1gtiE1 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |
2OAC | Download | Experimental | e2oacA2 e2oacB1 e2oacA1 e2oacB2 e2oacB1 e2oacA1 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |
3O76 | Download | Experimental | e3o76A1 e3o76A2 e3o76B1 e3o76A1 e3o76B1 e3o76B2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like | LigPlot |
2OAD | Download | Experimental | e2oadA2 e2oadA1 e2oadB1 e2oadB2 e2oadA1 e2oadB1 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |