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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 | CHEMBL1088916 |
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Molecular formula | C23H31N5 |
IUPAC name | N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine |
Molecular weight | 377.536 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine SCHEMBL2511014 BDBM50315297 N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine |
Inchi Key | CUOZNADPDYAGTE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H31N5/c24-14-5-1-2-6-16-28(17-22-26-19-11-3-4-12-20(19)27-22)21-13-7-9-18-10-8-15-25-23(18)21/h3-4,8,10-12,15,21H,1-2,5-7,9,13-14,16-17,24H2,(H,26,27) |
PubChem CID | 46204210 |
ChEMBL | CHEMBL1088916 |
IUPHAR | N/A |
BindingDB | 50315297 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 75.0 nM | PMID20297846 | BindingDB,ChEMBL |
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