Reaction Details Report a problem with these data
Target
Sphingomyelin phosphodiesterase 3
Ligand
BDBM50540352
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
IC50
300±n/a nM
Citation
 Slusher, B; Rojas, C; Thomas, AG; Nencka, R; Sala, M; Hrebabecky, H; Haughey, N Small molecule inhibitors of neutral sphingomyelinase 2 (nSMase2) for the treatment of neurodegenerative diseases US Patent  US11427590 Publication Date 8/30/2022 
Target
Name:
Sphingomyelin phosphodiesterase 3
Synonyms:
3.1.4.12 | NSMA2_HUMAN | Neutral sphingomyelinase 2 | Neutral sphingomyelinase II | SMPD3 | Sphingomyelin phosphodiesterase 3 | nSMase-2 | nSMase2
Type:
PROTEIN
Mol. Mass.:
71072.54
Organism:
Homo sapiens
Description:
ChEMBL_119220
Residue:
655
Sequence:
MVLYTTPFPNSCLSALHCVSWALIFPCYWLVDRLAASFIPTTYEKRQRADDPCCLQLLCTALFTPIYLALLVASLPFAFLGFLFWSPLQSARRPYIYSRLEDKGLAGGAALLSEWKGTGPGKSFCFATANVCLLPDSLARVNNLFNTQARAKEIGQRIRNGAARPQIKIYIDSPTNTSISAASFSSLVSPQGGDGVARAVPGSIKRTASVEYKGDGGRHPGDEAANGPASGDPVDSSSPEDACIVRIGGEEGGRPPEADDPVPGGQARNGAGGGPRGQTPNHNQQDGDSGSLGSPSASRESLVKGRAGPDTSASGEPGANSKLLYKASVVKKAAARRRRHPDEAFDHEVSAFFPANLDFLCLQEVFDKRAATKLKEQLHGYFEYILYDVGVYGCQGCCSFKCLNSGLLFASRYPIMDVAYHCYPNKCNDDALASKGALFLKVQVGSTPQDQRIVGYIACTHLHAPQEDSAIRCGQLDLLQDWLADFRKSTSSSSAANPEELVAFDVVCGDFNFDNCSSDDKLEQQHSLFTHYRDPCRLGPGEEKPWAIGTLLDTNGLYDEDVCTPDNLQKVLESEEGRREYLAFPTSKSSGQKGRKELLKGNGRRIDYMLHAEEGLCPDWKAEVEEFSFITQLSGLTDHLPVAMRLMVSSGEEEA
  
Inhibitor
Name:
BDBM50540352
Synonyms:
CHEMBL4643164 | US11427590, Entry 13
Type:
Small organic molecule
Emp. Form.:
C18H21N5OS
Mol. Mass.:
355.457
SMILES:
CC(=O)N[C@@H]1CCN(C1)c1cc(C)nn2c(c(C)nc12)-c1cccs1 |r|
Structure:
Search PDB for entries with ligand similarity: