Target
Beta-galactosidase
Ligand
BDBM80000
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:
BDBM80000
Synonyms:
MLS000591306 | N'-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]valerohydrazide | N'-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pentanehydrazide | N'-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pentanehydrazide | Pentanoic acid N'-(1,3-diethyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-hydrazide | SMR000218834 | cid_5594654
Type:
Small organic molecule
Emp. Form.:
C14H22N4O3S
Mol. Mass.:
326.414
SMILES:
[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#7]\[#6]=[#6]-1\[#6](=O)-[#7](-[#6]-[#6])-[#6](=S)-[#7](-[#6]-[#6])-[#6]-1=O
Structure:
Search PDB for entries with ligand similarity: