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Target
Sphingomyelin phosphodiesterase 3
Ligand
BDBM50540362
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
IC50
900±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:
BDBM50540362
Synonyms:
CHEMBL4649068 | US11427590, Entry 35
Type:
Small organic molecule
Emp. Form.:
C22H24F3N5O3
Mol. Mass.:
463.4529
SMILES:
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)C(F)(F)F |r|
Structure:
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