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BDBM50324682 3-(N-(4-carboxy-2-hydroxyphenyl)sulfamoyl)thiophene-2-carboxylic acid::3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID::CHEMBL1222313

SMILES: OC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1O)C(O)=O

InChI Key: InChIKey=RDPXXOOKKRIKFN-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324682   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase AmpC


(Escherichia coli)
BDBM50324682
PNG
(3-(N-(4-carboxy-2-hydroxyphenyl)sulfamoyl)thiophen...)
Show SMILES OC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1O)C(O)=O
Show InChI InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry


Nat Chem Biol 2: 720-3 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)