Reaction Details  Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50247017
Substrate
n/a
Meas. Tech.
ChEMBL_556955 (CHEMBL958141)
IC50
6.6±n/a nM
Citation
 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo. J Med Chem 51:7915-20 (2008) [PubMed]  Article
Target
Name:
C-X-C chemokine receptor type 4
Synonyms:
C-X-C chemokine receptor type 4 | C-X-C chemokine receptor type 4 (CXCR4) | CD_antigen=CD184 | CXC-R4 | CXCR-4 | CXCR4 | CXCR4_HUMAN | FB22 | Fusin | HM89 | LCR1 | LESTR | Leukocyte-derived seven transmembrane domain receptor | NPYRL | SDF-1 receptor | Stromal cell-derived factor 1 receptor
Type:
Enzyme
Mol. Mass.:
39754.61
Organism:
Homo sapiens (Human)
Description:
P61073
Residue:
352
Sequence:
MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
  
Inhibitor
Name:
BDBM50247017
Synonyms:
1-cycloheptyl-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea | CHEMBL541728
Type:
Small organic molecule
Emp. Form.:
C20H32N4S2
Mol. Mass.:
392.625
SMILES:
C(SC(NC1CCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 |w:11.12,t:20,23|
Structure:
Search PDB for entries with ligand similarity: