Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM67192
Substrate
n/a
Meas. Tech.
HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2
EC50
39902±n/a nM
Citation
 PubChem, PC HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2 PubChem Bioassay (2010)[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:
BDBM67192
Synonyms:
2-(3-anilino-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-3-methyl-5-(1,3,3-trimethylindolin-2-ylidene)thiazolidin-4-one | 2-(3-anilino-5-oxo-1-phenyl-4-pyrazolylidene)-3-methyl-5-(1,3,3-trimethyl-2-indolylidene)-4-thiazolidinone | 2-(3-anilino-5-oxo-1-phenylpyrazol-4-ylidene)-3-methyl-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one | 3-Methyl-2-(5-oxo-1-phenyl-3-phenylamino-1,5-dihydro-pyrazol-4-ylidene)-5-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-thiazolidin-4-one | 3-methyl-2-(5-oxidanylidene-1-phenyl-3-phenylazanyl-pyrazol-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one | MLS000562743 | SMR000174306 | cid_3697995
Type:
Small organic molecule
Emp. Form.:
C30H27N5O2S
Mol. Mass.:
521.633
SMILES:
CN1C(=c2sc(=C3C(Nc4ccccc4)=NN(C3=O)c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc12 |w:2.1,6.6,c:15|
Structure:
Search PDB for entries with ligand similarity: