Reaction Details Report a problem with these data
Target
Sphingomyelin phosphodiesterase
Ligand
BDBM50520425
Substrate
n/a
Meas. Tech.
ChEMBL_1880156 (CHEMBL4381550)
Ki
70000±n/a nM
Citation
 Yang, K; Yu, J; Nong, K; Wang, Y; Niu, A; Chen, W; Dong, J; Wang, J Discovery of Potent, Selective, and Direct Acid Sphingomyelinase Inhibitors with Antidepressant Activity. J Med Chem 63:961-974 (2020) [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:
BDBM50520425
Synonyms:
CHEMBL4556453
Type:
Small organic molecule
Emp. Form.:
C28H58N3O5PS
Mol. Mass.:
579.816
SMILES:
CCCCCCCCCCCCC\C=C\[C@H](O)[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=S)NC(C)(C)C |r|
Structure:
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