Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463584
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
48±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 | C-C chemokine receptor type 6 (CCR6) | CCR6 | CCR6_HUMAN | CKRL3 | CMKBR6 | GPR29 | STRL22
Type:
Enzyme
Mol. Mass.:
42510.84
Organism:
Homo sapiens (Human)
Description:
P51684
Residue:
374
Sequence:
MSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
  
Inhibitor
Name:
BDBM50463584
Synonyms:
CHEMBL4248488
Type:
Small organic molecule
Emp. Form.:
C23H22F3N3O2S
Mol. Mass.:
461.5
SMILES:
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2cccnc2)nc1 |r,wU:12.15,wD:9.8,(23.31,-36.62,;24.64,-35.85,;23.86,-34.51,;25.4,-34.51,;25.97,-36.62,;27.3,-35.85,;28.64,-36.61,;28.64,-38.16,;29.98,-38.93,;31.31,-38.16,;32.64,-38.93,;33.97,-38.17,;33.98,-36.63,;32.64,-35.86,;31.3,-36.62,;35.31,-35.86,;34.53,-34.52,;36.07,-34.52,;36.64,-36.63,;36.63,-38.17,;37.96,-38.95,;39.3,-38.18,;39.3,-36.63,;37.97,-35.87,;40.63,-38.95,;40.62,-40.49,;41.95,-41.26,;43.29,-40.49,;43.29,-38.95,;41.95,-38.18,;27.31,-38.93,;25.97,-38.16,)|
Structure:
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