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BDBM104005 LecB Inhibitor Sulfonamides 5d

SMILES: COC1O[C@H](CNS(=O)(=O)c2ccc(cc2)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=GXWABTUKHIEUJA-SRMYXAEUSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 104005   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LecB


(Pseudomonas aeruginosa)
BDBM104005
PNG
(LecB Inhibitor Sulfonamides 5d)
Show SMILES COC1O[C@H](CNS(=O)(=O)c2ccc(cc2)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C13H19N2O9S/c1-23-13-12(18)11(17)10(16)9(24-13)6-14-25(21,22)8-4-2-7(3-5-8)15(19)20/h2-5,9-14,16-18H,6H2,1H3,(H,19,20)/q+1/t9-,10-,11?,12+,13?/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.61E+4n/an/an/an/an/an/a



University of Konstanz





ACS Chem Biol 8: 1775-84 (2013)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q21J98C3
More data for this
Ligand-Target Pair