Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM48096
Substrate
n/a
Meas. Tech.
HTS Dose response counterscreen for assays utilizing the enzyme, b-galactosidase
EC50
7925±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:
BDBM48096
Synonyms:
(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one | (4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-methyl-2-phenyl-3-pyrazolone | (4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-methyl-2-phenyl-pyrazol-3-one | (4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one | MLS001003802 | SMR000347614 | cid_6372735
Type:
Small organic molecule
Emp. Form.:
C21H21N3O
Mol. Mass.:
331.4109
SMILES:
CN(C)c1ccc(C=CC=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1 |w:9.8|
Structure:
Search PDB for entries with ligand similarity: