Attributes
UniProt ID
Protein Name
Beta-lactamase
Ligand Name
3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SHAOGLYXUUWVRD-ZDUSSCGKSA-N
SMILES
B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5W12
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Color Legend
Unassigned regionsLigand / hetero atomse5w12A1e5w12A2e5w12B1e5w12B2e5w12C1e5w12C2e5w12D1e5w12D2
ECOD domains from experimental PDB structures interacting with ligand 9TG
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12A1 | A:61-225 |
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12A2 | A:6-60,A:226-358 |
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12B1 | B:61-225 |
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12B2 | B:2-60,B:226-359 |
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12C1 | C:61-225 |
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12C2 | C:3-60,C:226-359 |
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12D1 | D:3-60,D:226-357 |
| Q6DRA1 | n/a | 9TG | 5w12 | e5w12D2 | D:61-225 |