Reaction Details Report a problem with these data
Target
Ceramide glucosyltransferase
Ligand
BDBM367628
Substrate
n/a
Meas. Tech.
GCS Enzymatic Assay
IC50
55±n/a nM
Citation
 Wang, B Glucosylceramide synthase inhibitors for the treatment of diseases US Patent  US10227312 Publication Date 3/12/2019 
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:
BDBM367628
Synonyms:
7-chloro-N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hydroxy-3- (pyrrolidin-1-yl)propan-2-yl)-1H- benzo[4,5]thieno[2,3-d][1,2]oxazine- 4-carboxamide | US10227312, Example 13 | US10759769, Example 13
Type:
Small organic molecule
Emp. Form.:
C27H27Cl2N3O4S
Mol. Mass.:
560.492
SMILES:
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Structure:
Search PDB for entries with ligand similarity: