Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSphingomyelin phosphodiesterase
LigandBDBM50308981
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1737276
IC50 4160±n/a nM
Citation Yang, KNong, KGu, QDong, JWang, 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
More Info.:Get all data from this article,  Assay Method
 
Sphingomyelin phosphodiesterase
Name:Sphingomyelin phosphodiesterase
Synonyms:3.1.4.12 | ASM | Acid sphingomyelinase | SMPD1 | Sphingomyelin phosphodiesterase | aSMase
Type:PROTEIN
Mol. Mass.:69945.03
Organism:Homo sapiens
Description:ChEMBL_11570
Residue:631
Sequence:
MPRYGASLRQSCPRSGREQGQDGTAGAPGLLWMGLVLALALALALALALSDSRVLWAPAE
AHPLSPQGHPARLHRIVPRLRDVFGWGNLTCPICKGLFTAINLGLKKEPNVARVGSVAIK
LCNLLKIAPPAVCQSIVHLFEDDMVEVWRRSVLSPSEACGLLLGSTCGHWDIFSSWNISL
PTVPKPPPKPPSPPAPGAPVSRILFLTDLHWDHDYLEGTDPDCADPLCCRRGSGLPPASR
PGAGYWGEYSKCDLPLRTLESLLSGLGPAGPFDMVYWTGDIPAHDVWHQTRQDQLRALTT
VTALVRKFLGPVPVYPAVGNHESTPVNSFPPPFIEGNHSSRWLYEAMAKAWEPWLPAEAL
RTLRIGGFYALSPYPGLRLISLNMNFCSRENFWLLINSTDPAGQLQWLVGELQAAEDRGD
KVHIIGHIPPGHCLKSWSWNYYRIVARYENTLAAQFFGHTHVDEFEVFYDEETLSRPLAV
AFLAPSATTYIGLNPGYRVYQIDGNYSGSSHVVLDHETYILNLTQANIPGAIPHWQLLYR
ARETYGLPNTLPTAWHNLVYRMRGDMQLFQTFWFLYHKGHPPSEPCGTPCRLATLCAQLS
ARADSPALCRHLMPDGSLPEAQSLWPRPLFC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50308981
NameBDBM50308981
Synonyms:6-O-Hexylsulfonyl-D-glucose-2,4-bisphosphate | CHEMBL600243
TypeSmall organic molecule
Emp. Form.C12H26O14P2S
Mol. Mass.488.339
SMILESCCCCCCS(=O)(=O)OC[C@H]1OC(O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O |r|
Structure
n/a