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Target
Beta-galactosidase
Ligand
BDBM80029
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:
BDBM80029
Synonyms:
6-[2-(2-methoxyethylimino)-3-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one | 6-[2-(2-methoxyethylimino)-3-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylamino]-4-thiazolyl]-4H-1,4-benzoxazin-3-one | 6-[2-(2-methoxyethylimino)-3-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one | 6-[3-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethylamino]-2-(2-methoxyethylimino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one | MLS000773654 | SMR000364366 | cid_6159785
Type:
Small organic molecule
Emp. Form.:
C22H22N4O4S
Mol. Mass.:
438.499
SMILES:
COCCN=c1scc(-c2ccc3OCC(=O)Nc3c2)n1N=C(C)c1ccc(O)cc1 |w:21.23,4.3|
Structure:
Search PDB for entries with ligand similarity: