Reaction Details Report a problem with these data
Target
Phosphatidylcholine:ceramide cholinephosphotransferase 1
Ligand
BDBM50282209
Substrate
n/a
Meas. Tech.
ChEMBL_1724007 (CHEMBL4139285)
IC50
86000±n/a nM
Citation
 Adachi, R; Ogawa, K; Matsumoto, SI; Satou, T; Tanaka, Y; Sakamoto, J; Nakahata, T; Okamoto, R; Kamaura, M; Kawamoto, T Discovery and characterization of selective human sphingomyelin synthase 2 inhibitors. Eur J Med Chem 136:283-293 (2017) [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:
BDBM50282209
Synonyms:
CHEMBL1161894
Type:
Small organic molecule
Emp. Form.:
C11H16OS2
Mol. Mass.:
228.374
SMILES:
SC(=S)OC1CC2CC1C1CCCC21 |THB:3:4:7:9.13,10:9:7:4.5,12:13:7:4.5|
Structure:
Search PDB for entries with ligand similarity: