Ki Summary

Reaction Details

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Target

Ceramide glucosyltransferase

Ligand

BDBM50406138

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2266218

IC50

33±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 Lett14:146-155 (2023) [PubMed]

More Info.:

Get all data from this article, Assay Method

Ceramide glucosyltransferase

Name:

Ceramide glucosyltransferase

Synonyms:

Type:

PROTEIN

Mol. Mass.:

44859.25

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1435474

Residue:

394

Sequence:

MALLDLALEGMAVFGFVLFLVLWLMHFMAIIYTRLHLNKKATDKQPYSKLPGVSLLKPLK
GVDPNLINNLETFFELDYPKYEVLLCVQDHDDPAIDVCKKLLGKYPNVDARLFIGGKKVG
INPKINNLMPGYEVAKYDLIWICDSGIRVIPDTLTDMVNQMTEKVGLVHGLPYVADRQGF
AATLEQVYFGTSHPRYYISANVTGFKCVTGMSCLMRKDVLDQAGGLIAFAQYIAEDYFMA
KAIADRGWRFAMSTQVAMQNSGSYSISQFQSRMIRWTKLRINMLPATIICEPISECFVAS
LIIGWAAHHVFRWDIMVFFMCHCLAWFIFDYIQLRGVQGGTLCFSKLDYAVAWFIRESMT
IYIFLSALWDPTISWRTGRYRLRCGGTAEEILDV

BDBM50406138

n/a

Name

BDBM50406138

Synonyms:

CHEMBL5286071

Type

Small organic molecule

Emp. Form.

C19H21F3N6O

Mol. Mass.

406.4048

SMILES

[H][C@@]12C[C@]1([H])c1c(C2)c(nn1C(=O)N1CCN2CCC1CC2)-n1cc(cn1)C(F)(F)F |r,wU:1.0,3.4,(-5.42,1.39,;-3.89,1.54,;-4.5,2.96,;-2.97,2.79,;-3.59,4.2,;-1.51,2.33,;-1.51,.79,;-3.01,.32,;-.02,.28,;.9,1.56,;-.02,2.79,;.44,4.23,;-.64,5.36,;1.93,4.59,;2.91,3.36,;4.45,3.36,;5.42,4.54,;5.11,6.03,;3.73,6.69,;2.34,6.08,;2.85,4.79,;4.09,4.18,;.38,-1.21,;-.44,-2.51,;.52,-3.72,;1.87,-3.18,;1.87,-1.61,;.12,-5.2,;1.21,-6.29,;-1.36,-5.6,;-.27,-6.69,)|

Structure