Reaction Details
Report a problem with these data
Report a problem with these dataTarget
C-X-C chemokine receptor type 4
Ligand
BDBM50379088
Substrate
n/a
Meas. Tech.
ChEMBL_809536 (CHEMBL2015453)
IC50
1.56±n/a nM
Citation
Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E Agonists for the Chemokine Receptor CXCR4. ACS Med Chem Lett 2:597-602 (2011) [PubMed] Article More Info.:
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:
BDBM50379088
Synonyms:
CHEMBL2012525
Type:
Small organic molecule
Emp. Form.:
C91H142N32O18S2
Mol. Mass.:
2036.435
SMILES:
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Structure:
