CHOLERA TOXIN B-PENTAMER COMPLEXED WITH BIVALENT NITROPHENOL-GALACTOSIDE LIGAND BV2
PDB id Source Resolution
1RD9 VIBRIO CHOLERAE 1.44 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
BV2 Valid ic50 =  13.0 uM Fewer atoms than expected were found for ligand in PDB. % Diff = 0.285714  launch gocavviewer-lite   1198.23
C51 H79 N11 O22
 c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N

NONSPANNING BIVALENT LIGANDS AS IMPROVED SURFACE RECEPTOR BINDING INHIBITORS OF THE CHOLERA TOXIN B PENTAMER. CHEM.BIOL. V. 11 1205 2004

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90% Homology Family

The Class containing this family consists of a total of 46 families.
Leader:    1MD2
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
PDB id Binding data Representative ligand
1MD2 Kd ~ 40.0 nM 233-SQ
1CT1   GAL-NGA-GAL-GLC-SIA
1EEI ic50 = 0.7 mM GAA
1G8Z   GAL
1JR0 Kd = 12.0 uM A24
1LLR   FNG-LNQ
1PZJ ic50 = 0.32 mM J15
1PZK ic50 = 0.2 mM J12
1RCV ic50 = 29.0 uM BV1
1RD9 ic50 = 13.0 uM BV2
1RDP ic50 = 9.0 uM BV3
1RF2 ic50 = 17.0 uM BV4
2CHB   GAL-NGA-GAL-SIA
3CHB   GAL-NGA-GAL-GLC-SIA
3EFX   BGC-FUC-GAL-FUC-A2G