Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463580
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
460±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:
BDBM50463580
Synonyms:
CHEMBL4250481
Type:
Small organic molecule
Emp. Form.:
C23H22F3N3O2S
Mol. Mass.:
461.5
SMILES:
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccn2)nc1 |r,wU:12.15,wD:9.8,(1.79,-42.97,;3.13,-42.2,;2.35,-40.86,;3.89,-40.86,;4.46,-42.97,;5.79,-42.2,;7.13,-42.96,;7.13,-44.51,;8.47,-45.28,;9.8,-44.51,;11.13,-45.29,;12.46,-44.52,;12.46,-42.98,;11.13,-42.21,;9.79,-42.98,;13.8,-42.21,;13.02,-40.87,;14.56,-40.87,;15.13,-42.99,;15.12,-44.53,;16.45,-45.3,;17.79,-44.53,;17.78,-42.99,;16.45,-42.22,;19.12,-45.3,;19.11,-46.85,;20.44,-47.62,;21.78,-46.85,;21.77,-45.3,;20.44,-44.54,;5.79,-45.29,;4.46,-44.51,)|
Structure:
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