Ki Summary

Reaction Details

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Target

Ceramide glucosyltransferase

Ligand

BDBM50406134

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2266257

IC50

1.7±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

BDBM50406134

n/a

Name

BDBM50406134

Synonyms:

CHEMBL5275403

Type

Small organic molecule

Emp. Form.

C18H22ClF3N6O2

Mol. Mass.

446.854

SMILES

Cl.FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(3.57,-1.5,;.59,-6.29,;-.5,-5.2,;-1.99,-5.6,;-.9,-6.69,;-.1,-3.71,;1.25,-3.18,;1.25,-1.61,;-.24,-1.21,;-1.06,-2.5,;-.64,.28,;.28,1.56,;-.64,2.79,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.36,;4.8,4.54,;3.46,4.18,;2.23,4.79,;1.72,6.08,;3.1,6.69,;4.49,6.02,;-2.13,2.33,;-3.46,3.1,;-4.8,2.33,;-4.8,.79,;-3.46,.02,;-2.13,.79,)|

Structure