| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingomyelin phosphodiesterase |
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| Ligand | BDBM50214969 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1737276 (CHEMBL4153026) |
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| IC50 | 24740±n/a nM |
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| Citation |  Yang, K; Nong, K; Gu, Q; Dong, J; Wang, J Discovery of N-hydroxy-3-alkoxybenzamides as direct acid sphingomyelinase inhibitors using a ligand-based pharmacophore model. Eur J Med Chem151:389-400 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sphingomyelin phosphodiesterase |
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| Name: | Sphingomyelin phosphodiesterase |
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| Synonyms: | 3.1.4.12 | ASM | ASM_HUMAN | Acid sphingomyelinase | SMPD1 | Sphingomyelin phosphodiesterase | aSMase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 69945.03 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_11570 |
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| Residue: | 631 |
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| Sequence: | MPRYGASLRQSCPRSGREQGQDGTAGAPGLLWMGLVLALALALALALALSDSRVLWAPAE
AHPLSPQGHPARLHRIVPRLRDVFGWGNLTCPICKGLFTAINLGLKKEPNVARVGSVAIK
LCNLLKIAPPAVCQSIVHLFEDDMVEVWRRSVLSPSEACGLLLGSTCGHWDIFSSWNISL
PTVPKPPPKPPSPPAPGAPVSRILFLTDLHWDHDYLEGTDPDCADPLCCRRGSGLPPASR
PGAGYWGEYSKCDLPLRTLESLLSGLGPAGPFDMVYWTGDIPAHDVWHQTRQDQLRALTT
VTALVRKFLGPVPVYPAVGNHESTPVNSFPPPFIEGNHSSRWLYEAMAKAWEPWLPAEAL
RTLRIGGFYALSPYPGLRLISLNMNFCSRENFWLLINSTDPAGQLQWLVGELQAAEDRGD
KVHIIGHIPPGHCLKSWSWNYYRIVARYENTLAAQFFGHTHVDEFEVFYDEETLSRPLAV
AFLAPSATTYIGLNPGYRVYQIDGNYSGSSHVVLDHETYILNLTQANIPGAIPHWQLLYR
ARETYGLPNTLPTAWHNLVYRMRGDMQLFQTFWFLYHKGHPPSEPCGTPCRLATLCAQLS
ARADSPALCRHLMPDGSLPEAQSLWPRPLFC
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| BDBM50214969 |
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| n/a |
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| Name | BDBM50214969 |
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| Synonyms: | 1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one | 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone | CHEMBL323197 | Mangostin | alpha-mangostin |
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| Type | Small organic molecule |
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| Emp. Form. | C24H26O6 |
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| Mol. Mass. | 410.4596 |
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| SMILES | [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |
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| Structure | 
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