Ki Summary

Reaction Details

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Target

C-C chemokine receptor type 7

Ligand

BDBM50463583

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1778811 (CHEMBL4235803)

IC50

>30000±n/a nM

Citation

Tawaraishi, T; Sakauchi, N; Hidaka, K; Yoshikawa, K; Okui, T; Kuno, H; Chisaki, I; Aso, K Identification of a novel series of potent and selective CCR6 inhibitors as biological probes. Bioorg Med Chem Lett28:3067-3072 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

C-C chemokine receptor type 7

Name:

C-C chemokine receptor type 7

Synonyms:

CCR7 | CCR7_HUMAN | CMKBR7 | EBI1 | EVI1

Type:

PROTEIN

Mol. Mass.:

42885.12

Organism:

Homo sapiens (Human)

Description:

ChEMBL_338819

Residue:

378

Sequence:

MDLGKPMKSVLVVALLVIFQVCLCQDEVTDDYIGDNTTVDYTLFESLCSKKDVRNFKAWF
LPIMYSIICFVGLLGNGLVVLTYIYFKRLKTMTDTYLLNLAVADILFLLTLPFWAYSAAK
SWVFGVHFCKLIFAIYKMSFFSGMLLLLCISIDRYVAIVQAVSAHRHRARVLLISKLSCV
GIWILATVLSIPELLYSDLQRSSSEQAMRCSLITEHVEAFITIQVAQMVIGFLVPLLAMS
FCYLVIIRTLLQARNFERNKAIKVIIAVVVVFIVFQLPYNGVVLAQTVANFNITSSTCEL
SKQLNIAYDVTYSLACVRCCVNPFLYAFIGVKFRNDLFKLFKDLGCLSQEQLRQWSSCRH
IRRSSMSVEAETTTTFSP

BDBM50463583

n/a

Name

BDBM50463583

Synonyms:

CHEMBL4242040

Type

Small organic molecule

Emp. Form.

C25H22F3N3O2S

Mol. Mass.

485.521

SMILES

FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)|

Structure