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Target
Ceramide glucosyltransferase
Ligand
BDBM50406130
Substrate
n/a
Meas. Tech.
ChEMBL_2266218
IC50
34±n/a nM
Citation
 Roecker, AJ; Schirripa, KM; Loughran, HM; Tong, L; Liang, T; Fillgrove, KL; Kuo, Y; Bleasby, K; Collier, H; Altman, MD; Ford, MC; Drolet, RE; Cosden, M; Jinn, S; Hatcher, NG; Yao, L; Kandebo, M; Vardigan, JD; Flick, RB; Liu, X; Minnick, C; Price, LA; Watt, ML; Lemaire, W; Burlein, C; Adam, GC; Austin, LA; Marcus, JN; Smith, SM; Fraley, ME Pyrazole Ureas as Low Dose, CNS Penetrant Glucosylceramide Synthase Inhibitors for the Treatment of Parkinson's Disease. ACS Med Chem Lett 14:146-155 (2023) [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:
BDBM50406130
Synonyms:
CHEMBL5272946
Type:
Small organic molecule
Emp. Form.:
C20H23FN4O2
Mol. Mass.:
370.4206
SMILES:
Fc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;1.82,-3.52,;1.31,-2.03,;-.18,-1.72,;-1.21,-2.85,;-.74,-4.34,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.8,;4.8,3.98,;3.47,3.62,;2.23,4.24,;1.72,5.52,;3.11,6.13,;4.49,5.47,;-2.13,1.77,;-3.47,2.54,;-4.8,1.77,;-4.8,.23,;-3.47,-.54,;-2.13,.23,)|
Structure:
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