Reaction Details Report a problem with these data
Target
Sphingomyelin phosphodiesterase 2
Ligand
BDBM50122309
Substrate
n/a
Meas. Tech.
ChEMBL_144777 (CHEMBL751443)
Ki
1600±n/a nM
Citation
 Yokomatsu, T; Murano, T; Akiyama, T; Koizumi, J; Shibuya, S; Tsuji, Y; Soeda, S; Shimeno, H Synthesis of non-competitive inhibitors of sphingomyelinases with significant activity. Bioorg Med Chem Lett 13:229-36 (2002) [PubMed]  Article 
Target
Name:
Sphingomyelin phosphodiesterase 2
Synonyms:
Lyso-PAF-PLC | Lyso-platelet-activating factor-phospholipase C | N-SMase | NSMA_HUMAN | Neutral sphingomyelinase | SMPD2 | Sphingomyelin phosphodiesterase 2 | nSMase
Type:
PROTEIN
Mol. Mass.:
47650.63
Organism:
Homo sapiens (Human)
Description:
ChEMBL_144777
Residue:
423
Sequence:
MKPNFSLRLRIFNLNCWGIPYLSKHRADRMRRLGDFLNQESFDLALLEEVWSEQDFQYLRQKLSPTYPAAHHFRSGIIGSGLCVFSKHPIQELTQHIYTLNGYPYMIHHGDWFSGKAVGLLVLHLSGMVLNAYVTHLHAEYNRQKDIYLAHRVAQAWELAQFIHHTSKKADVVLLCGDLNMHPEDLGCCLLKEWTGLHDAYLETRDFKGSEEGNTMVPKNCYVSQQELKPFPFGVRIDYVLYKAVSGFYISCKSFETTTGFDPHRGTPLSDHEALMATLFVRHSPPQQNPSSTHGPAERSPLMCVLKEAWTELGLGMAQARWWATFASYVIGLGLLLLALLCVLAAGGGAGEAAILLWTPSVGLVLWAGAFYLFHVQEVNGLYRAQAELQHVLGRAREAQDLGPEPQPALLLGQQEGDRTKEQ
  
Inhibitor
Name:
BDBM50122309
Synonyms:
((3S,4R)-1,1-Difluoro-3-hexadecanoylamino-4-hydroxy-4-phenyl-butyl)-phosphonic acid | CHEMBL310981
Type:
Small organic molecule
Emp. Form.:
C26H44F2NO5P
Mol. Mass.:
519.6018
SMILES:
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(O)(O)=O)[C@H](O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: