Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50289762
Substrate
n/a
Meas. Tech.
ChEBML_37417
IC50
700±n/a nM
Citation
 Ogawa, S; Mito, T; Taiji, E; Jimbo, M; Yamagishi, K; Inokuchi, Ji Synthesis and biological evaluation of four stereoisomers of PDMP-analogue, N-(2-decylamino-3-hydroxy-3-phenylprop-1-yl)-β-valienamine, and related compounds Bioorg Med Chem Lett 7:1915-1920 (1997)    Article 
Target
Name:
Lysosomal acid glucosylceramidase
Synonyms:
Beta-glucocerebrosidase | GBA1_MOUSE | Gba | Gba1
Type:
Enzyme
Mol. Mass.:
57628.24
Organism:
Mus musculus (Mouse)
Description:
P17439
Residue:
515
Sequence:
MAARLIGFFLFQAVSWAYGAQPCIPKSFGYSSVVCVCNASYCDSLDPVTLPALGTFSRYESTRRGRRMELSVGAIQANRTGTGLLLTLQPEKKFQKVKGFGGAMTDATALNILALSPPTQKLLLRSYFSTNGIEYNIIRVPMASCDFSIRVYTYADTPNDFQLSNFSLPEEDTKLKIPLIHQALKMSSRPISLFASPWTSPTWLKTNGRVNGKGSLKGQPGDIFHQTWANYFVKFLDAYAKYGLRFWAVTAENEPTAGLFTGYPFQCLGFTPEHQRDFISRDLGPALANSSHDVKLLMLDDQRLLLPRWAEVVLSDPEAAKYVHGIAVHWYMDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVTGWTDWNLALNPEGGPNWVRNFVDSPIIVDIPKDAFYKQPMFYHLGHFSKFIPEGSQRVALVASESTDLETVALLRPDGSAVVVVLNRSSEDVPLTISDPDLGFLETVSPGYSIHTYLWRRQ
  
Inhibitor
Name:
BDBM50289762
Synonyms:
CHEMBL3350142 | CHEMBL57497 | Decanoic acid {(1S,2R)-2-hydroxy-2-phenyl-1-[(4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-methyl]-ethyl}-amide
Type:
Small organic molecule
Emp. Form.:
C26H42N2O6
Mol. Mass.:
478.6215
SMILES:
CCCCCCCCCC(=O)N[C@H](CN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](O)c1ccccc1 |t:16|
Structure:
Search PDB for entries with ligand similarity: