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Target
Beta-galactosidase
Ligand
BDBM67390
Substrate
n/a
Meas. Tech.
HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2
EC50
19453±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:
BDBM67390
Synonyms:
2-[(2S,6R,8E,12R)-12-[(4-fluorophenyl)methyl]-5,13-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide | 2-[(2S,6R,8E,12R)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide | MLS002320220 | N-benzyl-2-[(2S,6R,8E,12R)-12-(4-fluorobenzyl)-5,13-diketo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide | N-benzyl-2-[(2S,6R,8E,12R)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide | SMR001337845 | cid_44201736
Type:
Small organic molecule
Emp. Form.:
C35H39FN2O5
Mol. Mass.:
586.693
SMILES:
OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17|
Structure:
Search PDB for entries with ligand similarity: