Attributes
UniProt ID
Protein Name
Cholera enterotoxin subunit B
Ligand Name
1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BPHYTQORKHDHAH-OHNHNXIVSA-N
SMILES
c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)OC8C(C(C(C(O8)CO)O)O)O)[N+](=O)[O-])N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 1RF2
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Color Legend
Unassigned regionsLigand / hetero atomse1rf2D1e1rf2E1e1rf2F1e1rf2G1e1rf2H1
ECOD domains from experimental PDB structures interacting with ligand DB02572