Reaction Details  Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50458286
Substrate
n/a
Meas. Tech.
ChEMBL_2300253
Ki
8000±n/a nM
Citation
 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Structural Analysis of Chemokine Receptor-Ligand Interactions. J Med Chem 60:4735-4779 (2017) [PubMed]
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:
BDBM50458286
Synonyms:
CHEMBL2367715
Type:
Small organic molecule
Emp. Form.:
C32H37N7O2
Mol. Mass.:
551.6819
SMILES:
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 |r|
Structure:
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