Reaction Details Report a problem with these data
Target
Ceramide glucosyltransferase
Ligand
BDBM50299749
Substrate
n/a
Meas. Tech.
ChEMBL_859947 (CHEMBL2167350)
IC50
90±n/a nM
Citation
 Richards, S; Larson, CJ; Koltun, ES; Hanel, A; Chan, V; Nachtigall, J; Harrison, A; Aay, N; Du, H; Arcalas, A; Galan, A; Zhang, J; Zhang, W; Won, KA; Tam, D; Qian, F; Wang, T; Finn, P; Ogilvie, K; Rosen, J; Aoyama, R; Plonowski, A; Cancilla, B; Bentzien, F; Yakes, M; Mohan, R; Lamb, P; Nuss, J; Kearney, P Discovery and characterization of an inhibitor of glucosylceramide synthase. J Med Chem 55:4322-35 (2012) [PubMed]  Article 
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:
BDBM50299749
Synonyms:
(2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]-2-hydroxymethyl-piperidine-3,4,5-triol | CHEMBL574645 | N-adamantanemethyloxypentyl-1-deoxynojirimycin
Type:
Small organic molecule
Emp. Form.:
C22H39NO5
Mol. Mass.:
397.5488
SMILES:
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Structure:
Search PDB for entries with ligand similarity: