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Target
Phosphatidylcholine:ceramide cholinephosphotransferase 2
Ligand
BDBM50458919
Substrate
n/a
Meas. Tech.
ChEMBL_1764945 (CHEMBL4200192)
IC50
110±n/a nM
Citation
 Mo, M; Yang, J; Jiang, XC; Cao, Y; Fei, J; Chen, Y; Qi, X; Chu, Y; Zhou, L; Ye, D Discovery of 4-Benzyloxybenzo[ d]isoxazole-3-amine Derivatives as Highly Selective and Orally Efficacious Human Sphingomyelin Synthase 2 Inhibitors that Reduce Chronic Inflammation in db/ db Mice. J Med Chem 61:8241-8254 (2018) [PubMed]  Article 
Target
Name:
Phosphatidylcholine:ceramide cholinephosphotransferase 2
Synonyms:
SGMS2 | SMS2 | SMS2_HUMAN | Sphingomyelin synthase 2
Type:
PROTEIN
Mol. Mass.:
42294.80
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108027
Residue:
365
Sequence:
MDIIETAKLEEHLENQPSDPTNTYARPAEPVEEENKNGNGKPKSLSSGLRKGTKKYPDYIQIAMPTESRNKFPLEWWKTGIAFIYAVFNLVLTTVMITVVHERVPPKELSPPLPDKFFDYIDRVKWAFSVSEINGIILVGLWITQWLFLRYKSIVGRRFCFIIGTLYLYRCITMYVTTLPVPGMHFQCAPKLNGDSQAKVQRILRLISGGGLSITGSHILCGDFLFSGHTVTLTLTYLFIKEYSPRHFWWYHLICWLLSAAGIICILVAHEHYTIDVIIAYYITTRLFWWYHSMANEKNLKVSSQTNFLSRAWWFPIFYFFEKNVQGSIPCCFSWPLSWPPGCFKSSCKKYSRVQKIGEDNEKST
  
Inhibitor
Name:
BDBM50458919
Synonyms:
CHEMBL4207944
Type:
Small organic molecule
Emp. Form.:
C20H14F3N3O3
Mol. Mass.:
401.3387
SMILES:
FC(F)(F)Oc1ccccc1COc1cccc2onc(Nc3cccnc3)c12
Structure:
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