Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM79976
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:
BDBM79976
Synonyms:
MLS000534304 | N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-2-phenyl-ethanamide | N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]-2-phenyl-acetamide | N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2-phenylacetamide | N-[(2-methyl-4-nitrophenyl)carbamothioyl]-2-phenylacetamide | N-{[(2-methyl-4-nitrophenyl)amino]carbonothioyl}-2-phenylacetamide | SMR000141741 | cid_2904096
Type:
Small organic molecule
Emp. Form.:
C16H15N3O3S
Mol. Mass.:
329.374
SMILES:
Cc1cc(ccc1NC(=S)NC(=O)Cc1ccccc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: