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Target
Phosphatidylcholine:ceramide cholinephosphotransferase 1
Ligand
BDBM50458942
Substrate
n/a
Meas. Tech.
ChEMBL_1764948 (CHEMBL4200195)
IC50
79000±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 1
Synonyms:
MOB | Medulla oblongata-derived protein | Protein Mob | SGMS1 | SMS1 | SMS1_HUMAN | Sphingomyelin synthase 1 | TMEM23 | Transmembrane protein 23
Type:
PROTEIN
Mol. Mass.:
48630.99
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109868
Residue:
413
Sequence:
MKEVVYWSPKKVADWLLENAMPEYCEPLEHFTGQDLINLTQEDFKKPPLCRVSSDNGQRLLDMIETLKMEHHLEAHKNGHANGHLNIGVDIPTPDGSFSIKIKPNGMPNGYRKEMIKIPMPELERSQYPMEWGKTFLAFLYALSCFVLTTVMISVVHERVPPKEVQPPLPDTFFDHFNRVQWAFSICEINGMILVGLWLIQWLLLKYKSIISRRFFCIVGTLYLYRCITMYVTTLPVPGMHFNCSPKLFGDWEAQLRRIMKLIAGGGLSITGSHNMCGDYLYSGHTVMLTLTYLFIKEYSPRRLWWYHWICWLLSVVGIFCILLAHDHYTVDVVVAYYITTRLFWWYHTMANQQVLKEASQMNLLARVWWYRPFQYFEKNVQGIVPRSYHWPFPWPVVHLSRQVKYSRLVNDT
  
Inhibitor
Name:
BDBM50458942
Synonyms:
CHEMBL4202973
Type:
Small organic molecule
Emp. Form.:
C19H14ClN3O2
Mol. Mass.:
351.786
SMILES:
Clc1ccccc1COc1cccc2onc(Nc3cccnc3)c12
Structure:
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