Target
Sphingomyelin phosphodiesterase
Ligand
BDBM50370079
Substrate
n/a
Meas. Tech.
ChEMBL_1737276 (CHEMBL4153026)
IC50
290±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 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:
BDBM50370079
Synonyms:
CHEMBL4167088
Type:
Small organic molecule
Emp. Form.:
C12H29NO8P2
Mol. Mass.:
377.3081
SMILES:
CCCCCCCCCCCC(N)(OP(O)(O)=O)OP(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: