Reaction Details Report a problem with these data
Target
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
Ligand
BDBM50561668
Substrate
n/a
Meas. Tech.
ChEMBL_2075685 (CHEMBL4731219)
IC50
200±n/a nM
Citation
 Thurairatnam, S; Lim, S; Barker, RH; Choi-Sledeski, YM; Hirth, BH; Jiang, J; Macor, JE; Makino, E; Maniar, S; Musick, K; Pribish, JR; Munson, M Brain Penetrable Inhibitors of Ceramide Galactosyltransferase for the Treatment of Lysosomal Storage Disorders. ACS Med Chem Lett 11:2010-2016 (2020) [PubMed]  Article 
Target
Name:
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
Synonyms:
2-hydroxyacylsphingosine 1-beta-galactosyltransferase | 2.4.1.47 | CGT | CGT_HUMAN | Ceramide UDP-galactosyltransferase | Cerebroside synthase | UDP-galactose-ceramide galactosyltransferase | UGT4 | UGT8
Type:
PROTEIN
Mol. Mass.:
61470.74
Organism:
Homo sapiens
Description:
ChEMBL_120191
Residue:
541
Sequence:
MKSYTPYFILLWSAVGIAKAAKIIIVPPIMFESHMYIFKTLASALHERGHHTVFLLSEGRDIAPSNHYSLQRYPGIFNSTTSDAFLQSKMRNIFSGRLTAIELFDILDHYTKNCDLMVGNHALIQGLKKEKFDLLLVDPNDMCGFVIAHLLGVKYAVFSTGLWYPAEVGAPAPLAYVPEFNSLLTDRMNLLQRMKNTGVYLISRLGVSFLVLPKYERIMQKYNLLPEKSMYDLVHGSSLWMLCTDVALEFPRPTLPNVVYVGGILTKPASPLPEDLQRWVNGANEHGFVLVSFGAGVKYLSEDIANKLAGALGRLPQKVIWRFSGPKPKNLGNNTKLIEWLPQNDLLGHSKIKAFLSHGGLNSIFETIYHGVPVVGIPLFGDHYDTMTRVQAKGMGILLEWKTVTEKELYEALVKVINNPSYRQRAQKLSEIHKDQPGHPVNRTIYWIDYIIRHNGAHHLRAAVHQISFCQYFLLDIAFVLLLGAALLYFLLSWVTKFIYRKIKSLWSRNKHSTVNGHYHNGILNGKYKRNGHIKHEKKVK
  
Inhibitor
Name:
BDBM50561668
Synonyms:
CHEMBL4764180
Type:
Small organic molecule
Emp. Form.:
C18H19F3N4O3S
Mol. Mass.:
428.429
SMILES:
CNC(=O)c1csc2c(cc(nc12)N1CC(C1)OC(=O)NCC1CC1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: