Reaction Details Report a problem with these data
Target
Alpha-galactosidase A
Ligand
BDBM50163440
Substrate
n/a
Meas. Tech.
ChEMBL_1653299 (CHEMBL4002665)
IC50
42±n/a nM
Citation
 Cheng, WC; Wang, JH; Yun, WY; Li, HY; Hu, JM Rapid preparation of (3R,4S,5R) polyhydroxylated pyrrolidine-based libraries to discover a pharmacological chaperone for treatment of Fabry disease. Eur J Med Chem 126:1-6 (2017) [PubMed]  Article 
Target
Name:
Alpha-galactosidase A
Synonyms:
INN=Agalsidase | Melibiase | Alpha-D-galactosidase A | Alpha-D-galactoside galactohydrolase | AGAL_HUMAN | GLA | Alpha-galactosidase A | Alpha-glucosidase A (α-Gal A)
Type:
Protein
Mol. Mass.:
48760.21
Organism:
Human
Description:
n/a
Residue:
429
Sequence:
MQLRNPELHLGCALALRFLALVSWDIPGARALDNGLARTPTMGWLHWERFMCNLDCQEEPDSCISEKLFMEMAELMVSEGWKDAGYEYLCIDDCWMAPQRDSEGRLQADPQRFPHGIRQLANYVHSKGLKLGIYADVGNKTCAGFPGSFGYYDIDAQTFADWGVDLLKFDGCYCDSLENLADGYKHMSLALNRTGRSIVYSCEWPLYMWPFQKPNYTEIRQYCNHWRNFADIDDSWKSIKSILDWTSFNQERIVDVAGPGGWNDPDMLVIGNFGLSWNQQVTQMALWAIMAAPLFMSNDLRHISPQAKALLQDKDVIAINQDPLGKQGYQLRQGDNFEVWERPLSGLAWAVAMINRQEIGGPRSYTIAVASLGKGVACNPACFITQLLPVKRKLGFYEWTSRLRSHINPTGTVLLQLENTMQMSLKDLL
  
Inhibitor
Name:
BDBM50163440
Synonyms:
(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | D-galacto-1-Deoxynojirimycin | 1-deoxygalactonojirimycin | (2R,3S,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol | CHEMBL110458 | DGJ
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O
Structure:
Search PDB for entries with ligand similarity: