Attributes
UniProt ID
Protein Name
Beta-galactosidase
Ligand Name
(2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VCRXDLDGTLMSHK-XFWSIPNHSA-N
SMILES
CCCCNC(=S)N1CC(C(C(C1CO)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3WF2
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Color Legend
Unassigned regionsLigand / hetero atomse3wf2A1e3wf2A2e3wf2A3e3wf2B1e3wf2B2e3wf2B3e3wf2C1e3wf2C2e3wf2C3e3wf2D1e3wf2D2e3wf2D3
ECOD domains from experimental PDB structures interacting with ligand NDJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P16278 | n/a | NDJ | 3wf2 | e3wf2A1 | A:29-367 |
| P16278 | n/a | NDJ | 3wf2 | e3wf2A2 | A:396-530 |
| P16278 | n/a | NDJ | 3wf2 | e3wf2B1 | B:29-367 |
| P16278 | n/a | NDJ | 3wf2 | e3wf2B2 | B:396-530 |
| P16278 | n/a | NDJ | 3wf2 | e3wf2C1 | C:29-367 |
| P16278 | n/a | NDJ | 3wf2 | e3wf2C2 | C:396-530 |
| P16278 | n/a | NDJ | 3wf2 | e3wf2D1 | D:29-367 |
| P16278 | n/a | NDJ | 3wf2 | e3wf2D2 | D:396-530 |