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Target
Beta-galactosidase
Ligand
BDBM79971
Substrate
n/a
Meas. Tech.
HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 3
IC50
>66600±0 nM
Citation
 PubChem, PC HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 3 PubChem Bioassay (2011)[AID] 
Target
Name:
Beta-galactosidase
Synonyms:
BGAL_ECOLX | Beta-gal | Lactase | lacZ
Type:
PROTEIN
Mol. Mass.:
116943.87
Organism:
Escherichia coli
Description:
ChEMBL_215882
Residue:
1029
Sequence:
MTMITPSFPGNSLAVVLQRRDWENPGVTQLNRLAAHPPFASWRNSEEARTDRPSQQLRSLNGEWRFAWFPAPEAVPESWLECDLPEADTVVVPSNWQMHGYDAPIYTNVTYPITVNPPFVPTENPTGCYSLTFNVDESWLQEGQTRIIFDGVNSAFHLWCNGRWVGYGQDSRLPSEFDLSAFLRAGENRLAVMVLRWSDGSYLEDQDMWRMSGIFRDVSLLHKPTTQISDFHVATRFNDDFSRAVLEAEVQMCGELRDYLRVTVSLWQGETQVASGTAPFGGEIIDERGGYADRVTLRLNVENPKLWSAEIPNLYRAVVELHTADGTLIEAEACDVGFREVRIENGLLLLNGKPLLIRGVNRHEHHPLHGQVMDEQTMVQDILLMKQNNFNAVRCSHYPNHPLWYTLCDRYGLYVVDEANIETHGMVPMNRLTDDPRWLPAMSERVTRMVQRDRNHPSVIIWSLGNESGHGANHDALYRWIKSVDPSRPVQYEGGGADTTATDIICPMYARVDEDQPFPAVPKWSIKKWLSLPGETRPLILCEYAHAMGNSLGGFAKYWQAFRQYPRLQGGFVWDWVDQSLIKYDENGNPWSAYGGDFGDTPNDRQFCMNGLVFADRTPHPALTEAKHQQQFFQFRLSGQTIEVTSEYLFRHSDNELLHWMVALDGKPLASGEVPLDVAPQGKQLIELPELPQPESAGQLWLTVRVVQPNATAWSEAGHISAWQQWRLAENLSVTLPAASHAIPHLTTSEMDFCIELGNKRWQFNRQSGFLSQMWIGDKKQLLTPLRDQFTRAPLDNDIGVSEATRIDPNAWVERWKAAGHYQAEAALLQCTADTLADAVLITTAHAWQHQGKTLFISRKTYRIDGSGQMAITVDVEVASDTPHPARIGLNCQLAQVAERVNWLGLGPQENYPDRLTAACFDRWDLPLSDMYTPYVFPSENGLRCGTRELNYGPHQWRGDFQFNISRYSQQQLMETSHRHLLHAEEGTWLNIDGFHMGIGGDDSWSPSVSAEFQLSAGRYHYQLVWCQK
  
Inhibitor
Name:
BDBM79971
Synonyms:
2-(1-Butyryl-2,2-dimethyl-3-thioxo-2,3-dihydro-1H-quinolin-4-ylidene)-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester | 2-(1-butyryl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester | 2-[2,2-dimethyl-1-(1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester | MLS000120807 | SMR000118274 | cid_3125473 | dimethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate | dimethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Type:
Small organic molecule
Emp. Form.:
C22H23NO5S3
Mol. Mass.:
477.617
SMILES:
[#6]-[#6]-[#6]-[#6](=O)-[#7]1-c2ccccc2\[#6](=[#6]-2\[#16]-[#6](-[#6](=O)-[#8]-[#6])=[#6](-[#16]-2)-[#6](=O)-[#8]-[#6])-[#6](=S)C1([#6])[#6] |c:20|
Structure:
Search PDB for entries with ligand similarity: