Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463583
Substrate
n/a
Meas. Tech.
ChEMBL_1778809 (CHEMBL4235801)
IC50
21±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 Lett 28:3067-3072 (2018) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 6
Synonyms:
C-C chemokine receptor type 6 | CCR6
Type:
PROTEIN
Mol. Mass.:
42673.20
Organism:
Macaca mulatta
Description:
ChEMBL_117797
Residue:
374
Sequence:
MSGESMNFSDVFDSSEDYFASVNTSYYTVDSEMLLCTLHEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNAMCKLMKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRYRTLLRSKVICLIVWGVSVVISSSTFIFNQKYNIQGSDVCEPKYQTVSEPIKWKLLMLGLELLFGFFIPLMFMIFCYMFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGNMNRSCHSEKLLGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKIMKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
  
Inhibitor
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:
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