Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463601
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
31±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:
BDBM50463601
Synonyms:
CHEMBL4239428
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)-c2cccc(c2)C#N)nc1 |r,wU:12.15,wD:9.8,(22.76,-58.96,;24.1,-58.19,;23.32,-56.86,;24.86,-56.86,;25.43,-58.96,;26.76,-58.19,;28.09,-58.96,;28.1,-60.51,;29.44,-61.27,;30.77,-60.5,;32.1,-61.28,;33.43,-60.52,;33.43,-58.98,;32.1,-58.2,;30.76,-58.97,;34.77,-58.21,;33.99,-56.86,;35.53,-56.86,;36.1,-58.98,;36.09,-60.52,;37.42,-61.29,;38.76,-60.53,;38.75,-58.98,;37.42,-58.21,;40.09,-61.3,;40.08,-62.84,;41.41,-63.61,;42.75,-62.84,;42.74,-61.29,;41.41,-60.53,;44.08,-60.52,;45.4,-59.74,;26.76,-61.28,;25.43,-60.51,)|
Structure:
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