Reaction Details |
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Target | Alpha-galactosidase |
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Ligand | BDBM50341334 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_742387 (CHEMBL1768945) |
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IC50 | >100000±n/a nM |
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Citation | Díaz, L; Casas, J; Bujons, J; Llebaria, A; Delgado, A New glucocerebrosidase inhibitors by exploration of chemical diversity of N-substituted aminocyclitols using click chemistry and in situ screening. J Med Chem54:2069-79 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Alpha-galactosidase |
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Name: | Alpha-galactosidase |
Synonyms: | α-galactosidase | AGAL_COFAR | Alpha-galactosidase |
Type: | Protein |
Mol. Mass.: | 41306.82 |
Organism: | Coffea arabica (Coffee beans) |
Description: | n/a |
Residue: | 378 |
Sequence: | MVKSPGTEDYTRRSLLANGLGLTPPMGWNSWNHFRCNLDEKLIRETADAMVSKGLAALGY
KYINLDDCWAELNRDSQGNLVPKGSTFPSGIKALADYVHSKGLKLGIYSDAGTQTCSKTM
PGSLGHEEQDAKTFASWGVDYLKYDNCNNNNISPKERYPIMSKALLNSGRSIFFSLCEWG
EEDPATWAKEVGNSWRTTGDIDDSWSSMTSRADMNDKWASYAGPGGWNDPDMLEVGNGGM
TTTEYRSHFSIWALAKAPLLIGCDIRSMDGATFQLLSNAEVIAVNQDKLGVQGNKVKTYG
DLEVWAGPLSGKRVAVALWNRGSSTATITAYWSDVGLPSTAVVNARDLWAHSTEKSVKGQ
ISAAVDAHDSKMYVLTPQ
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BDBM50341334 |
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n/a |
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Name | BDBM50341334 |
Synonyms: | CHEMBL1766473 | rel-(1R,2S,4R,5S)-6-[(1-Adamantyl-1H-1,2,3-triazol-4-yl)methylamino]cyclohexane-1,2,3,4,5-pentaol |
Type | Small organic molecule |
Emp. Form. | C20H32N4O5 |
Mol. Mass. | 408.4919 |
SMILES | O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H]1O |r,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16.15.20:18| |
Structure |
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