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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 | Spermidine tris-PheG |
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Molecular formula | C28H37N9 |
IUPAC name | 1-[4-[[amino(anilino)methylidene]amino]butyl]-1-[3-[[amino(anilino)methylidene]amino]propyl]-2-phenylguanidine |
Molecular weight | 499.667 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 5 |
XlogP | 2.9 |
Synonyms | CHEMBL2347624 3-Phenyl-1-[4-(N'-phenylcarbamimidamido)butyl]-1-[3-(N'-phenylcarbamimidamido)propyl]guanidine (non-preferred name) Spermidine tris-Phenylguanide BDBM50431876 Spermadine Phenylguanide [ Show all ] |
Inchi Key | ASLYPGQJJKJRQX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H37N9/c29-26(34-23-13-4-1-5-14-23)32-19-10-11-21-37(28(31)36-25-17-8-3-9-18-25)22-12-20-33-27(30)35-24-15-6-2-7-16-24/h1-9,13-18H,10-12,19-22H2,(H2,31,36)(H3,29,32,34)(H3,30,33,35) |
PubChem CID | 71589167 |
ChEMBL | CHEMBL2347624 |
IUPHAR | N/A |
BindingDB | 50431876 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 280.0 nM | PMID23434419 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218