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Name | C-X-C chemokine receptor type 4 |
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Species | Homo sapiens (Human) |
Gene | CXCR4 |
Synonym | LESTR LESTR {ECO:0000303|PubMed:8276799} Stromal cell-derived factor 1 receptor LCR1 LAP-3 [ Show all ] |
Disease | N/A |
Length | 352 |
Amino acid sequence | MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS |
UniProt | P61073 |
Protein Data Bank | 3oe9, 3oe8, 3oe6, 3odu |
GPCR-HGmod model | P61073 |
3D structure model | This structure is from PDB ID 3oe9. |
BioLiP | BL0187218, BL0187262,BL0187263, BL0187259,BL0187260,BL0187261, BL0187197,BL0187198 |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2107 |
IUPHAR | 71 |
DrugBank | BE0000919 |
Name | CHEMBL1682860 |
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Molecular formula | C19H27N5 |
IUPAC name | N'-[(6-aminopyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
Molecular weight | 325.46 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 1.4 |
Synonyms | SCHEMBL12935604 N-[(6-Aminopyridin-2-yl)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine rac-N1-(6-aminopyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine BDBM50337567 N'-[(6-amino-2-pyridyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
Inchi Key | CNYCEOXPILIJJN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H27N5/c20-11-1-2-13-24(14-16-8-4-10-18(21)23-16)17-9-3-6-15-7-5-12-22-19(15)17/h4-5,7-8,10,12,17H,1-3,6,9,11,13-14,20H2,(H2,21,23) |
PubChem CID | 53318414 |
ChEMBL | CHEMBL1682860 |
IUPHAR | N/A |
BindingDB | 50337567 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 49.0 nM | PMID21295470 | BindingDB,ChEMBL |
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