Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463579
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
27±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:
BDBM50463579
Synonyms:
CHEMBL4249063
Type:
Small organic molecule
Emp. Form.:
C24H21F3N4O2S
Mol. Mass.:
486.509
SMILES:
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(nc2)C#N)nc1 |r,wU:12.15,wD:9.8,(22.69,-11.44,;24.02,-10.67,;23.24,-9.33,;24.78,-9.33,;25.35,-11.44,;26.68,-10.67,;28.02,-11.43,;28.02,-12.98,;29.36,-13.75,;30.69,-12.98,;32.02,-13.76,;33.35,-12.99,;33.36,-11.45,;32.02,-10.68,;30.68,-11.45,;34.69,-10.69,;33.91,-9.34,;35.45,-9.34,;36.02,-11.46,;36.01,-13,;37.34,-13.77,;38.68,-13,;38.68,-11.46,;37.35,-10.69,;40.01,-13.78,;40,-15.32,;41.33,-16.09,;42.67,-15.32,;42.67,-13.77,;41.33,-13.01,;44,-16.09,;45.33,-16.85,;26.69,-13.76,;25.35,-12.99,)|
Structure:
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