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Target
Sphingomyelin phosphodiesterase
Ligand
BDBM50214969
Substrate
n/a
Meas. Tech.
ChEMBL_1737276 (CHEMBL4153026)
IC50
24740±n/a nM
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 Chem 151:389-400 (2018) [PubMed]  Article 
Target
Name:
Sphingomyelin phosphodiesterase
Synonyms:
3.1.4.12 | ASM | ASM_HUMAN | Acid sphingomyelinase | SMPD1 | Sphingomyelin phosphodiesterase | aSMase
Type:
PROTEIN
Mol. Mass.:
69945.03
Organism:
Homo sapiens
Description:
ChEMBL_11570
Residue:
631
Sequence:
MPRYGASLRQSCPRSGREQGQDGTAGAPGLLWMGLVLALALALALALALSDSRVLWAPAEAHPLSPQGHPARLHRIVPRLRDVFGWGNLTCPICKGLFTAINLGLKKEPNVARVGSVAIKLCNLLKIAPPAVCQSIVHLFEDDMVEVWRRSVLSPSEACGLLLGSTCGHWDIFSSWNISLPTVPKPPPKPPSPPAPGAPVSRILFLTDLHWDHDYLEGTDPDCADPLCCRRGSGLPPASRPGAGYWGEYSKCDLPLRTLESLLSGLGPAGPFDMVYWTGDIPAHDVWHQTRQDQLRALTTVTALVRKFLGPVPVYPAVGNHESTPVNSFPPPFIEGNHSSRWLYEAMAKAWEPWLPAEALRTLRIGGFYALSPYPGLRLISLNMNFCSRENFWLLINSTDPAGQLQWLVGELQAAEDRGDKVHIIGHIPPGHCLKSWSWNYYRIVARYENTLAAQFFGHTHVDEFEVFYDEETLSRPLAVAFLAPSATTYIGLNPGYRVYQIDGNYSGSSHVVLDHETYILNLTQANIPGAIPHWQLLYRARETYGLPNTLPTAWHNLVYRMRGDMQLFQTFWFLYHKGHPPSEPCGTPCRLATLCAQLSARADSPALCRHLMPDGSLPEAQSLWPRPLFC
  
Inhibitor
Name:
BDBM50214969
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
Type:
Small organic molecule
Emp. Form.:
C24H26O6
Mol. Mass.:
410.4596
SMILES:
[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Structure:
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