Attributes
UniProt ID
Protein Name
Beta-lactamase
Ligand Name
(2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WWFGWBHKRFILGQ-HNQUOIGGSA-N
SMILES
C(CO)C(=O)CNC=CC=O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6J2K
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Color Legend
Unassigned regionsLigand / hetero atomse6j2kA1e6j2kA2e6j2kB1e6j2kB2
ECOD domains from experimental PDB structures interacting with ligand ISS
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| C8CP57 | n/a | ISS | 6j2k | e6j2kA1 | A:27-64,A:179-288 |
| C8CP57 | n/a | ISS | 6j2k | e6j2kA2 | A:65-178 |
| C8CP57 | n/a | ISS | 6j2k | e6j2kB1 | B:27-64,B:179-288 |
| C8CP57 | n/a | ISS | 6j2k | e6j2kB2 | B:65-178 |
| C8CP57 | n/a | ISS | 6j2o | e6j2oA1 | A:27-64,A:179-288 |
| C8CP57 | n/a | ISS | 6j2o | e6j2oA2 | A:65-178 |
| C8CP57 | n/a | ISS | 6j2o | e6j2oB1 | B:27-64,B:179-288 |
| C8CP57 | n/a | ISS | 6j2o | e6j2oB2 | B:65-178 |