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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 | CHEMBL1802280 |
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Molecular formula | C18H16F2N4 |
IUPAC name | 5-fluoro-N-[[4-[[(5-fluoropyridin-2-yl)amino]methyl]phenyl]methyl]pyridin-2-amine |
Molecular weight | 326.351 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | SCHEMBL10055036 |
Inchi Key | CROONFRXAQIKIS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H16F2N4/c19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24) |
PubChem CID | 49857285 |
ChEMBL | CHEMBL1802280 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC | 100.0 nM | PMID21105715 | ChEMBL |
Inhibition | 45.0 % | PMID21105715 | ChEMBL |
Inhibition | 68.0 % | PMID21105715 | ChEMBL |
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