Reaction Details
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C-X-C chemokine receptor type 4
Ligand
BDBM50398994
Substrate
n/a
Meas. Tech.
ChEMBL_875045 (CHEMBL2184363)
EC50
257.04±n/a nM
Citation
Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Våbenø, J Rational design of conformationally constrained cyclopentapeptide antagonists for C-x-C chemokine receptor 4 (CXCR4). J Med Chem 55:10287-91 (2012) [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:
BDBM50398994
Synonyms:
CHEMBL2180084
Type:
Small organic molecule
Emp. Form.:
C37H47N11O6
Mol. Mass.:
741.8392
SMILES:
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C2([#6]-[#6]-[#7](-[#6]-[#6]2)-[#6](-[#7])=[#7])[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Structure:
