Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463600
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
48±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:
BDBM50463600
Synonyms:
CHEMBL4238131
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)-c2ccccc2C#N)nc1 |r,wU:12.15,wD:9.8,(1.94,-3.7,;3.28,-2.93,;2.5,-1.59,;4.04,-1.59,;4.61,-3.7,;5.94,-2.93,;7.27,-3.7,;7.28,-5.25,;8.61,-6.01,;9.95,-5.24,;11.28,-6.02,;12.61,-5.25,;12.61,-3.71,;11.28,-2.94,;9.94,-3.71,;13.95,-2.95,;13.17,-1.6,;14.71,-1.6,;15.28,-3.72,;15.27,-5.26,;16.6,-6.03,;17.93,-5.27,;17.93,-3.72,;16.6,-2.95,;19.27,-6.04,;19.26,-7.58,;20.59,-8.35,;21.93,-7.58,;21.92,-6.03,;20.59,-5.27,;20.59,-3.73,;20.57,-2.19,;5.94,-6.02,;4.61,-5.25,)|
Structure:
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