Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463603
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
12±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:
BDBM50463603
Synonyms:
CHEMBL4239904
Type:
Small organic molecule
Emp. Form.:
C25H24F3N3O3S
Mol. Mass.:
503.537
SMILES:
NC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(22.89,-52.56,;21.56,-51.8,;21.55,-50.26,;20.23,-52.57,;20.23,-54.12,;18.89,-54.89,;17.56,-54.12,;17.57,-52.58,;18.89,-51.81,;16.24,-51.81,;14.9,-52.57,;13.57,-51.8,;13.58,-50.26,;14.91,-49.49,;16.24,-50.26,;12.25,-49.49,;11.47,-48.14,;13.01,-48.14,;10.92,-50.25,;10.91,-51.79,;9.58,-52.56,;8.25,-51.78,;8.24,-50.25,;9.58,-49.48,;6.92,-52.55,;5.58,-51.79,;5.58,-50.24,;4.24,-49.47,;2.91,-50.24,;2.91,-51.79,;4.25,-52.56,;1.58,-49.47,;.25,-50.24,;.8,-48.13,;2.34,-48.13,)|
Structure:
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