Ki Summary

Reaction Details

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Target

Ceramide glucosyltransferase

Ligand

BDBM50406126

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2266215

IC50

6.0±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

BDBM50406126

n/a

Name

BDBM50406126

Synonyms:

CHEMBL5291288

Type

Small organic molecule

Emp. Form.

C20H22ClFN4O2

Mol. Mass.

404.866

SMILES

Fc1ccc(cc1Cl)-n1nc(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;-.74,-4.34,;-1.21,-2.85,;-.18,-1.72,;1.31,-2.03,;1.82,-3.52,;3.31,-3.92,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.75,;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