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Target
Sphingomyelin phosphodiesterase 3
Ligand
BDBM50521412
Substrate
n/a
Meas. Tech.
ChEMBL_1884279 (CHEMBL4385861)
IC50
120±n/a nM
Citation
 Stepanek, O; Hin, N; Thomas, AG; Dash, RP; Alt, J; Rais, R; Rojas, C; Slusher, BS; Tsukamoto, T Neutral sphingomyelinase 2 inhibitors based on the 4-(1H-imidazol-2-yl)-2,6-dialkoxyphenol scaffold. Eur J Med Chem 170:276-289 (2019) [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:
BDBM50521412
Synonyms:
CHEMBL4540577
Type:
Small organic molecule
Emp. Form.:
C29H30N2O3S
Mol. Mass.:
486.625
SMILES:
Oc1c(OC2CCCC2)cc(cc1OC1CCCC1)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1
Structure:
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