Reaction Details Report a problem with these data
Target
Ceramide glucosyltransferase
Ligand
BDBM339796
Substrate
n/a
Meas. Tech.
MDR1-MDCKII Assay
IC50
47.0±n/a nM
Citation
 Larsen, SD; Abe, A; Shu, L; Wilson, MW; Keep, RF; Sun, D; Shayman, JA Glucosylceramide synthase inhibitors and therapeutic methods using the same US Patent  US10202340 Publication Date 2/12/2019 
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:
BDBM339796
Synonyms:
US10202340, Example 16
Type:
Small organic molecule
Emp. Form.:
C25H28F4N2O3
Mol. Mass.:
480.495
SMILES:
O[C@@H]([C@@H](CN1CC[C@@H](F)C1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: