Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM50463604
Substrate
n/a
Meas. Tech.
ChEMBL_1778803 (CHEMBL4235795)
IC50
24±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:
BDBM50463604
Synonyms:
CHEMBL4251268
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)-c2ccncc2)nc1 |r,wU:12.15,wD:9.8,(3.02,-35.92,;4.35,-35.15,;3.57,-33.82,;5.11,-33.82,;5.68,-35.92,;7.01,-35.15,;8.35,-35.92,;8.35,-37.47,;9.69,-38.24,;11.02,-37.46,;12.35,-38.24,;13.68,-37.48,;13.68,-35.94,;12.35,-35.16,;11.01,-35.93,;15.02,-35.17,;14.24,-33.82,;15.78,-33.82,;16.35,-35.94,;16.34,-37.48,;17.67,-38.25,;19.01,-37.49,;19.01,-35.94,;17.67,-35.17,;20.34,-38.26,;20.33,-39.8,;21.66,-40.57,;23,-39.8,;23,-38.25,;21.66,-37.49,;7.01,-38.24,;5.68,-37.47,)|
Structure:
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