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Target
Sphingomyelin phosphodiesterase 3
Ligand
BDBM50540356
Substrate
n/a
Meas. Tech.
ChEMBL_1981863 (CHEMBL4615125)
IC50
200±n/a nM
Citation
 ?ála, M; Hollinger, KR; Thomas, AG; Dash, RP; Tallon, C; Veeravalli, V; Lovell, L; Kögler, M; H?ebabecký, H; Procházková, E; Ne?uta, O; Donoghue, A; Lam, J; Rais, R; Rojas, C; Slusher, BS; Nencka, R Novel Human Neutral Sphingomyelinase 2 Inhibitors as Potential Therapeutics for Alzheimer's Disease. J Med Chem 63:6028-6056 (2020) [PubMed]  Article 
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:
BDBM50540356
Synonyms:
CHEMBL4632464 | US11427590, Entry 17
Type:
Small organic molecule
Emp. Form.:
C21H22F3N5O2
Mol. Mass.:
433.4269
SMILES:
CC(=O)N[C@@H]1CCN(C1)c1cc(C)nn2c(c(C)nc12)-c1ccc(OC(F)(F)F)cc1 |r|
Structure:
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