Attributes
UniProt ID
Protein Name
Beta-lactamase
Ligand Name
3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WHXOLIBPKXZPTN-HNNXBMFYSA-N
SMILES
B(C(Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5W14
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Color Legend
Unassigned regionsLigand / hetero atomse5w14A1e5w14A2e5w14B1e5w14B2e5w14C1e5w14C2e5w14D1e5w14D2
ECOD domains from experimental PDB structures interacting with ligand 9TJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14A1 | A:61-225 |
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14A2 | A:4-60,A:226-359 |
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14B1 | B:61-225 |
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14B2 | B:1-60,B:226-359 |
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14C1 | C:61-225 |
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14C2 | C:3-60,C:226-359 |
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14D1 | D:5-60,D:226-357 |
| Q6DRA1 | n/a | 9TJ | 5w14 | e5w14D2 | D:61-225 |