Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50458252
Substrate
n/a
Meas. Tech.
ChEMBL_1762557 (CHEMBL4197804)
IC50
2.3±n/a nM
Citation
 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Design, synthesis, and structure-activity-relationship of a novel series of CXCR4 antagonists. Eur J Med Chem 149:30-44 (2018) [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:
BDBM50458252
Synonyms:
CHEMBL4214960
Type:
Small organic molecule
Emp. Form.:
C20H29ClN6
Mol. Mass.:
388.937
SMILES:
Cl.CN(Cc1cc(ncn1)N1CCN(C)CC1)C1CCCc2cccnc12
Structure:
Search PDB for entries with ligand similarity: