Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463605
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
76±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:
BDBM50463605
Synonyms:
CHEMBL4242401
Type:
Small organic molecule
Emp. Form.:
C24H23F3N2O2S
Mol. Mass.:
460.512
SMILES:
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccc2)nc1 |r,wU:12.15,wD:9.8,(25.18,-30.39,;26.51,-29.62,;25.74,-28.28,;27.28,-28.28,;27.85,-30.39,;29.18,-29.62,;30.51,-30.38,;30.52,-31.93,;31.85,-32.7,;33.19,-31.93,;34.52,-32.7,;35.85,-31.94,;35.85,-30.4,;34.52,-29.63,;33.18,-30.39,;37.19,-29.63,;36.41,-28.29,;37.95,-28.29,;38.52,-30.4,;38.51,-31.94,;39.84,-32.72,;41.17,-31.95,;41.17,-30.4,;39.84,-29.64,;42.51,-32.72,;42.5,-34.26,;43.83,-35.03,;45.16,-34.26,;45.16,-32.72,;43.83,-31.95,;29.18,-32.7,;27.85,-31.93,)|
Structure:
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