Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM48090
Substrate
n/a
Meas. Tech.
HTS Dose response counterscreen for assays utilizing the enzyme, b-galactosidase
EC50
13050±n/a nM
Citation
 PubChem, PC HTS Dose response counterscreen for assays utilizing the enzyme, b-galactosidase PubChem Bioassay (2009)[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:
BDBM48090
Synonyms:
(5E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone | (5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | (5E)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-5-vanillylidene-thiazolidin-4-one | MLS000713731 | SMR000273212 | cid_1745927
Type:
Small organic molecule
Emp. Form.:
C22H19N3O4S2
Mol. Mass.:
453.534
SMILES:
COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
Structure:
Search PDB for entries with ligand similarity: