Ki Summary

Reaction Details

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Target

Ceramide glucosyltransferase

Ligand

BDBM50356094

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_775862 (CHEMBL1912403)

IC50

4±n/a nM

Citation

Koltun, E; Richards, S; Chan, V; Nachtigall, J; Du, H; Noson, K; Galan, A; Aay, N; Hanel, A; Harrison, A; Zhang, J; Won, KA; Tam, D; Qian, F; Wang, T; Finn, P; Ogilvie, K; Rosen, J; Mohan, R; Larson, C; Lamb, P; Nuss, J; Kearney, P Discovery of a new class of glucosylceramide synthase inhibitors. Bioorg Med Chem Lett21:6773-7 (2011) [PubMed] Article

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

BDBM50356094

n/a

Name

BDBM50356094

Synonyms:

CHEMBL1911829

Type

Small organic molecule

Emp. Form.

C30H30ClF3N4O4

Mol. Mass.

603.032

SMILES

FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CN3CCC2CC3)c(Cl)c1 |r,wD:18.18,31.32,(8.76,-41.16,;8.77,-39.62,;10.11,-38.85,;10.1,-40.39,;7.44,-38.85,;6.1,-39.61,;4.77,-38.83,;4.79,-37.3,;3.46,-36.52,;3.47,-34.98,;4.8,-34.21,;4.8,-32.67,;3.46,-31.9,;2.13,-32.67,;2.14,-34.2,;.8,-34.97,;.8,-36.51,;-.53,-34.2,;-1.86,-34.96,;-1.87,-36.5,;-3.2,-37.27,;-3.2,-38.81,;-1.87,-39.59,;-1.87,-41.13,;-.54,-41.91,;.8,-41.14,;.79,-39.59,;-.54,-38.83,;-3.2,-34.19,;-3.19,-32.65,;-4.53,-34.96,;-5.86,-34.19,;-7.2,-34.96,;-8.53,-34.18,;-8.53,-32.64,;-7.19,-31.88,;-5.86,-32.65,;-7.4,-32.68,;-7,-34.18,;6.11,-36.53,;6.11,-34.99,;7.44,-37.3,)|

Structure