Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50521151
Substrate
n/a
Meas. Tech.
ChEMBL_1883059 (CHEMBL4384558)
IC50
1995±n/a nM
Citation
 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists. Eur J Med Chem 162:631-649 (2019) [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:
BDBM50521151
Synonyms:
CHEMBL4526858
Type:
Small organic molecule
Emp. Form.:
C19H24ClN3
Mol. Mass.:
329.867
SMILES:
Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1
Structure:
Search PDB for entries with ligand similarity: