Reaction Details  Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50555525
Substrate
n/a
Meas. Tech.
ChEMBL_2052531 (CHEMBL4707532)
IC50
66±n/a nM
Citation
 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Structural optimization of aminopyrimidine-based CXCR4 antagonists. Eur J Med Chem 187:0 (2020) [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:
BDBM50555525
Synonyms:
CHEMBL4744555
Type:
Small organic molecule
Emp. Form.:
C22H32N6O
Mol. Mass.:
396.5291
SMILES:
CN(Cc1cc(NCCN2CCOCC2)nc(C)n1)[C@H]1CCCc2cccnc12 |r|
Structure:
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