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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 | CHEMBL3965697 |
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Molecular formula | C19H17N5O4 |
IUPAC name | 4-nitro-N-[[6-[(4-nitroanilino)methyl]pyridin-2-yl]methyl]aniline |
Molecular weight | 379.376 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | N/A |
Inchi Key | CWCCJSLANPUWNF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H17N5O4/c25-23(26)18-8-4-14(5-9-18)20-12-16-2-1-3-17(22-16)13-21-15-6-10-19(11-7-15)24(27)28/h1-11,20-21H,12-13H2 |
PubChem CID | 21130257 |
ChEMBL | CHEMBL3965697 |
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 | <1000.0 nM | PMID27576294 | ChEMBL |
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