Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463591
Substrate
n/a
Meas. Tech.
ChEMBL_1778808 (CHEMBL4235800)
IC50
<30±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:
BDBM50463591
Synonyms:
CHEMBL4248604
Type:
Small organic molecule
Emp. Form.:
C24H23F3N4O3S
Mol. Mass.:
504.525
SMILES:
NC(=O)c1cc(ccn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(22.47,-12.84,;21.14,-12.07,;21.13,-10.53,;19.81,-12.84,;18.47,-12.08,;17.15,-12.85,;17.14,-14.39,;18.47,-15.16,;19.81,-14.39,;15.82,-12.08,;14.48,-12.85,;13.15,-12.07,;13.16,-10.53,;14.49,-9.76,;15.82,-10.53,;11.83,-9.76,;11.05,-8.42,;12.59,-8.42,;10.5,-10.53,;10.49,-12.07,;9.16,-12.83,;7.83,-12.05,;7.82,-10.52,;9.16,-9.75,;6.5,-12.83,;5.16,-12.06,;5.16,-10.51,;3.82,-9.74,;2.49,-10.52,;2.49,-12.06,;3.83,-12.83,;1.16,-9.75,;-.18,-10.52,;.38,-8.41,;1.92,-8.41,)|
Structure:
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