Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 6
Ligand
BDBM531188
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
19.0±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:
BDBM531188
Synonyms:
3-((4-chloro-2-hydroxy-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)amino)-4-((1-ethylcyclopentyl)amino)cyclobut-3-ene-1,2-dione | US11208377, Compound 90
Type:
Small organic molecule
Emp. Form.:
C22H29ClN4O5S
Mol. Mass.:
497.007
SMILES:
CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N2CCN(C)CC2)c(=O)c1=O
Structure:
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