Reaction Details Report a problem with these data
Target
Ceramide glucosyltransferase
Ligand
BDBM50602025
Substrate
n/a
Meas. Tech.
ChEMBL_2238979 (CHEMBL5152875)
IC50
3.6±n/a nM
Citation
 Wang, J; Reynolds, M; Ibáñez, I; Sasaki, Y; Tanaka, Y; Kikuchi, F; Ohashi, T; Sato, S; Miyabayashi, M; Fujii, T; Tanaka, Y Photoredox-based late-stage functionalization in SAR study for in vivo potent glucosylceramide synthase inhibitor. Bioorg Med Chem Lett 77:0 (2022) [PubMed] 
Target
Name:
Ceramide glucosyltransferase
Synonyms:
CEGT_HUMAN | GCS | GLCT-1 | Glucosylceramide synthase | UDP-glucose ceramide glucosyltransferase | UDP-glucose:N-acylsphingosine D-glucosyltransferase | UGCG
Type:
PROTEIN
Mol. Mass.:
44859.25
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1435474
Residue:
394
Sequence:
MALLDLALEGMAVFGFVLFLVLWLMHFMAIIYTRLHLNKKATDKQPYSKLPGVSLLKPLKGVDPNLINNLETFFELDYPKYEVLLCVQDHDDPAIDVCKKLLGKYPNVDARLFIGGKKVGINPKINNLMPGYEVAKYDLIWICDSGIRVIPDTLTDMVNQMTEKVGLVHGLPYVADRQGFAATLEQVYFGTSHPRYYISANVTGFKCVTGMSCLMRKDVLDQAGGLIAFAQYIAEDYFMAKAIADRGWRFAMSTQVAMQNSGSYSISQFQSRMIRWTKLRINMLPATIICEPISECFVASLIIGWAAHHVFRWDIMVFFMCHCLAWFIFDYIQLRGVQGGTLCFSKLDYAVAWFIRESMTIYIFLSALWDPTISWRTGRYRLRCGGTAEEILDV
  
Inhibitor
Name:
BDBM50602025
Synonyms:
CHEMBL5181454
Type:
Small organic molecule
Emp. Form.:
C28H27F3N2O4
Mol. Mass.:
512.5202
SMILES:
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)(F)F)C2(C)COC2)C1=O
Structure:
Search PDB for entries with ligand similarity: