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Target
Sphingomyelin phosphodiesterase 3
Ligand
BDBM67506
Substrate
n/a
Meas. Tech.
ChEMBL_1884279 (CHEMBL4385861)
IC50
20±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:
BDBM67506
Synonyms:
4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6-dimethoxy-1-cyclohexa-2,5-dienone | 4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6-dimethoxy-cyclohexa-2,5-dien-1-one | 4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one | 4-(4,5-diphenyl-4-imidazolin-2-ylidene)-2,6-dimethoxy-cyclohexa-2,5-dien-1-one | SR-03000000728-1 | cid_5508729
Type:
Small organic molecule
Emp. Form.:
C23H20N2O3
Mol. Mass.:
372.4165
SMILES:
COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: