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Target
Beta-galactosidase
Ligand
BDBM51789
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:
BDBM51789
Synonyms:
2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-keto-indolin-3-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid | 2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-oxoethyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid | 2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid | 2-[(5Z)-5-[1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid | MLS000923796 | SMR000620081 | cid_1637842
Type:
Small organic molecule
Emp. Form.:
C21H16BrN3O6S3
Mol. Mass.:
582.467
SMILES:
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: