Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM531207
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
6.00±n/a nM
Citation
 Hein, CD; Duong, TT; Sinha, S; Li, L; Nguyen, JH; Old, DW; Burk, R; Viswanath, V; Rao, S; Donello, JE 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof US Patent  US11208377 Publication Date 12/28/2021 
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:
BDBM531207
Synonyms:
(R)-3-((3-chloro-2-hydroxyphenyl)amino)-4-((5,5-dimethyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino)cyclobut-3-ene-1,2-dione | US11208377, Compound 109
Type:
Small organic molecule
Emp. Form.:
C20H19ClN2O4
Mol. Mass.:
386.829
SMILES:
CC1(C)CCc2occc2[C@@H]1Nc1c(Nc2cccc(Cl)c2O)c(=O)c1=O |r|
Structure:
Search PDB for entries with ligand similarity: