Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463606
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
140±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:
BDBM50463606
Synonyms:
CHEMBL4240463
Type:
Small organic molecule
Emp. Form.:
C28H31N3O2S
Mol. Mass.:
473.63
SMILES:
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N |r,wU:19.20,wD:22.27,(22.94,-28.71,;22.94,-27.17,;24.27,-26.4,;24.27,-27.94,;21.61,-26.4,;20.27,-27.17,;18.94,-26.4,;18.95,-24.86,;20.27,-24.09,;21.6,-24.85,;17.62,-24.09,;16.28,-24.85,;14.95,-24.08,;14.96,-22.54,;16.28,-21.77,;17.61,-22.54,;13.63,-21.77,;12.85,-20.42,;14.39,-20.42,;12.29,-22.54,;12.29,-24.08,;10.96,-24.84,;9.63,-24.06,;9.62,-22.53,;10.96,-21.76,;8.29,-24.84,;6.96,-24.07,;6.95,-22.52,;5.62,-21.75,;4.29,-22.52,;4.29,-24.07,;5.62,-24.84,;2.96,-21.75,;1.62,-20.98,)|
Structure:
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