Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM50261422
Substrate
n/a
Meas. Tech.
ChEMBL_1438445 (CHEMBL3384257)
Ki
9.5±n/a nM
Citation
 Fan, QH; Claunch, KA; Striegler, S Structure-activity relationship of highly potent galactonoamidine inhibitors toward ?-galactosidase (Aspergillus oryzae). J Med Chem 57:8999-9009 (2014) [PubMed]  Article 
Target
Name:
Beta-galactosidase
Synonyms:
3.2.1.23 | Beta-galactosidase
Type:
PROTEIN
Mol. Mass.:
100763.98
Organism:
Aspergillus oryzae
Description:
ChEMBL_109122
Residue:
909
Sequence:
MASLMKVYKLWVDIIAQNPANRHELTSQQRHVFSAEDPEKPLQDIVTWDEYSILVRGERILFFSGEFHPFRLPSPGLWLDVFQKIRALGYSGVSFYLMWGLLEGEPGHVRTEGVFALDGFFNAASQAGIYLLARPGPYINAEVSGGGFPSWVQRIEGSVRTTDPTFLNATKNYISTIGEIISKVQITNGGPVILFQLENEYSICEGAPSHEELNFCLEKDYMAAIEQQFRDAEIVVPFVNNDAVALGDWAPGTGQGAIDIYGFDNYPFGWGNGYASPENWTQITDPLTQYNFSQHQSMSPGTPFSIIEFQGGAPDPWGGTGADVCAEMVSNIFARVFYKINYDFRITIFNLYMMLGGTNWGNLGYSSGYTSYDVGAAIIEDRQITREKYSEIKLEAQFLQVSPAYITSKPHSPCSGCYTNASALMTTRLQGESTNFYIIRHSNYIVTQSTSYEWRANTSQGSITVPQPGGSSTLHGRDSKFHVTDCDLGGINLIYPTAETFTWRRHGSKSVLVLYGGEDEIHEFAVDSNLGNATTIEGSNVRLGKRGATFVVQWDHLDVYLLWRNEAYQYWVMDLPAPEPLDLHASPSRTNSSVIVKAGYLLRNASISENTLHLTGDVNATSTVELISAPPGCCSDVLYDGNRLQNISNTNGRVSGVVPYIDPKLAIPEMESLEWRYLDSLPEGEEKSLYLSTQGGYAYGHSVWLDSTYLGSWQGNPAIQNYNQTLQFPQSLQGDEHYVLTILIDNLGLDLNFELNTNTMKSPRGLLDYDLSGHNSWKITGNLGGEQYREHSRGPLNKGSTFVERQGYHLSGALNSTKAEWQTRTPQEGLSAAGVGLFATTFSLDYPQGYDIPTSVYVTIPTTHQSIVNNTGPQTEYPIPEGILNHHGGNHLAHHLLGSGRKWGKAGRD
  
Inhibitor
Name:
BDBM50261422
Synonyms:
CHEMBL3359680
Type:
Small organic molecule
Emp. Form.:
C10H18N2O4
Mol. Mass.:
230.2609
SMILES:
OC[C@H]1N\C(=N/CC2CC2)[C@H](O)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: