Ki Summary

Reaction Details

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Target

C-C chemokine receptor type 7

Ligand

BDBM50463599

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1778811 (CHEMBL4235803)

IC50

18000±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

BDBM50463599

n/a

Name

BDBM50463599

Synonyms:

CHEMBL4245355

Type

Small organic molecule

Emp. Form.

C24H23F3N4O3S

Mol. Mass.

504.525

SMILES

NC(=O)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(45.22,-7.98,;43.89,-8.75,;43.89,-10.29,;42.55,-7.98,;41.22,-8.75,;39.88,-7.98,;39.89,-6.44,;41.22,-5.67,;42.55,-6.44,;38.56,-5.67,;37.22,-6.44,;35.89,-5.66,;35.91,-4.12,;37.23,-3.36,;38.56,-4.12,;34.57,-3.35,;33.79,-2.01,;35.33,-2.01,;33.24,-4.12,;33.23,-5.66,;31.9,-6.42,;30.57,-5.65,;30.56,-4.11,;31.9,-3.35,;29.24,-6.42,;27.91,-5.65,;27.9,-4.1,;26.56,-3.34,;25.24,-4.11,;25.23,-5.65,;26.57,-6.42,;23.9,-3.34,;22.57,-4.11,;23.12,-2,;24.66,-2,)|

Structure