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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 | CHEMBL1682990 |
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Molecular formula | C18H26N4 |
IUPAC name | N'-[(5-methylpyridin-2-yl)methyl]-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine |
Molecular weight | 298.434 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 1.7 |
Synonyms | BDBM50337578 rac-N1-((5-methylpyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine SCHEMBL12935130 |
Inchi Key | AXICYROIMBIUDV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H26N4/c1-15-8-9-17(21-13-15)14-22(12-6-4-10-19)16(2)18-7-3-5-11-20-18/h3,5,7-9,11,13,16H,4,6,10,12,14,19H2,1-2H3 |
PubChem CID | 25177629 |
ChEMBL | CHEMBL1682990 |
IUPHAR | N/A |
BindingDB | 50337578 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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IC50 | 66.0 nM | PMID21295470 | BindingDB,ChEMBL |
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