Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463602
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
900±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:
BDBM50463602
Synonyms:
CHEMBL4237882
Type:
Small organic molecule
Emp. Form.:
C25H24F3N3O3S
Mol. Mass.:
503.537
SMILES:
NC(=O)c1ccccc1-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(45.36,-51.96,;44.03,-52.73,;42.69,-51.97,;44.03,-54.27,;45.36,-55.04,;45.37,-56.59,;44.03,-57.35,;42.7,-56.58,;42.71,-55.04,;41.37,-54.27,;40.04,-55.04,;38.71,-54.27,;38.72,-52.73,;40.04,-51.96,;41.37,-52.72,;37.39,-51.95,;36.61,-50.61,;38.15,-50.61,;36.05,-52.72,;36.05,-54.26,;34.72,-55.03,;33.39,-54.25,;33.38,-52.72,;34.72,-51.95,;32.05,-55.02,;30.72,-54.25,;30.71,-52.7,;29.38,-51.94,;28.05,-52.71,;28.05,-54.25,;29.38,-55.02,;26.72,-51.94,;25.38,-52.71,;25.94,-50.6,;27.48,-50.6,)|
Structure:
Search PDB for entries with ligand similarity: