Attributes
UniProt ID
Protein Name
Beta-lactamase
Ligand Name
[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DONWCTWXNJLLEK-HTTVLNLHSA-N
SMILES
CC1(C(NC(S1)C(C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5TOY
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Color Legend
Unassigned regionsLigand / hetero atomse5toyA1e5toyA2e5toyB1e5toyB2
ECOD domains from experimental PDB structures interacting with ligand JSC
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A1B3B7F6 | n/a | JSC | 5toy | e5toyA1 | A:25-64,A:179-290 |
| A0A1B3B7F6 | n/a | JSC | 5toy | e5toyA2 | A:65-178 |
| A0A1B3B7F6 | n/a | JSC | 5toy | e5toyB1 | B:62-175 |
| A0A1B3B7F6 | n/a | JSC | 5toy | e5toyB2 | B:27-61,B:176-290 |