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Target
Phosphatidylcholine:ceramide cholinephosphotransferase 1
Ligand
BDBM50545129
Substrate
n/a
Meas. Tech.
ChEMBL_1994373 (CHEMBL4628268)
IC50
2400±n/a nM
Citation
 Yukawa, T; Nakahata, T; Okamoto, R; Ishichi, Y; Miyamoto, Y; Nishimura, S; Oikawa, T; Kubo, K; Adachi, R; Satomi, Y; Nakakariya, M; Amano, N; Kamaura, M; Matsunaga, N Discovery of 1,8-naphthyridin-2-one derivative as a potent and selective sphingomyelin synthase 2 inhibitor. Bioorg Med Chem 28:0 (2020) [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:
BDBM50545129
Synonyms:
CHEMBL4645607
Type:
Small organic molecule
Emp. Form.:
C33H39F3N4O6
Mol. Mass.:
644.6812
SMILES:
COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC3(C)CC3)c3cccnc3n(C)c2=O)cc(c1)C(F)(F)F
Structure:
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