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Target
C-X-C chemokine receptor type 4
Ligand
BDBM50081397
Substrate
n/a
Meas. Tech.
ChEMBL_44679 (CHEMBL884098)
IC50
>35000±n/a nM
Citation
 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E Synthesis and structure-activity relationships of phenylenebis(methylene)-linked bis-azamacrocycles that inhibit HIV-1 and HIV-2 replication by antagonism of the chemokine receptor CXCR4. J Med Chem 42:3971-81 (1999) [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:
BDBM50081397
Synonyms:
5,8-dithia-1,12-diazacyclotetradecanyl[4-(5,8-dithia-1,12-diazacyclotetradecanylmethyl)phenyl]methane;tetra hydrochloride | CHEMBL541337
Type:
Small organic molecule
Emp. Form.:
C28H50N4S4
Mol. Mass.:
570.983
SMILES:
C(N1CCCSCCSCCCNCC1)c1ccc(CN2CCCSCCSCCCNCC2)cc1
Structure:
Search PDB for entries with ligand similarity: