Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50335557
Substrate
n/a
Meas. Tech.
ChEMBL_708504 (CHEMBL1666318)
IC50
2.8±n/a nM
Citation
 Murakami, T; Kumakura, S; Yamazaki, T; Tanaka, R; Hamatake, M; Okuma, K; Huang, W; Toma, J; Komano, J; Yanaka, M; Tanaka, Y; Yamamoto, N The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. Antimicrob Agents Chemother 53:2940-8 (2009) [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:
BDBM50335557
Synonyms:
CHEMBL1652605 | N,N-dipropyl-N'-[4-({[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)benzyl]-N'-methylbutane-1,4-diamine tri-(2R,3R)-tartrate
Type:
Small organic molecule
Emp. Form.:
C28H45N7
Mol. Mass.:
479.7038
SMILES:
CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1
Structure:
Search PDB for entries with ligand similarity: