Reaction Details Report a problem with these data
Target
Sphingomyelin phosphodiesterase 2
Ligand
BDBM50134345
Substrate
n/a
Meas. Tech.
ChEBML_144761
IC50
21000±n/a nM
Citation
Taguchi, M; Goda, K; Sugimoto, K; Akama, T; Yamamoto, K; Suzuki, T; Tomishima, Y; Nishiguchi, M; Arai, K; Takahashi, K; Kobori, T Biological evaluation of sphingomyelin analogues as inhibitors of sphingomyelinase. Bioorg Med Chem Lett 13:3681-4 (2003) [PubMed] Article
More Info.:
Target
Name:
Sphingomyelin phosphodiesterase 2
Synonyms:
NSMA_RAT | Neutral sphingomyelinase | Smpd2
Type:
PROTEIN
Mol. Mass.:
47651.22
Organism:
Rattus norvegicus
Description:
ChEMBL_611790
Residue:
422
Sequence:
MKHNFSLRLRVFNLNCWDIPYLSKHRADRMKRLGDFLNLESFDLALLEEVWSEQDFQYLKQKLSLTYPDAHYFRSGIIGSGLCVFSRHPIQEIVQHVYTLNGYPYKFYHGDWFCGKAVGLLVLHLSGLVLNAYVTHLHAEYSRQKDIYFAHRVAQAWELAQFIHHTSKKANVVLLCGDLNMHPKDLGCCLLKEWTGLRDAFVETEDFKGSEDGCTMVPKNCYVSQQDLGPFPFGVRIDYVLYKAVSGFHICCKTLKTTTGCDPHNGTPFSDHEALMATLCVKHSPPQEDPCSAHGSAERSALISALREARTELGRGIAQARWWAALFGYVMILGLSLLVLLCVLAAGEEAREVAIMLWTPSVGLVLGAGAVYLFHKQEAKSLCRAQAEIQHVLTRTTETQDLGSEPHPTHCRQQEADRAEEK
Inhibitor
Name:
BDBM50134345
Synonyms:
(2S,3R)-2-[(2,2-dimethylpropanoyl)amino]-3-hydroxyoctadec-4-enyl hydroxy(pyridin-4-ylmethyl)carbamate | CHEMBL123492
Type:
Small organic molecule
Emp. Form.:
C30H51N3O5
Mol. Mass.:
533.743
SMILES:
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)N(O)Cc1ccncc1)NC(=O)C(C)(C)C