You can:
Name | C-X-C chemokine receptor type 4 |
---|---|
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 | CHEMBL3976878 |
---|---|
Molecular formula | C31H34N6 |
IUPAC name | N-(pyridin-2-ylmethyl)-N'-(9H-pyrido[3,4-b]indol-1-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
Molecular weight | 490.655 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | SCHEMBL13509630 US9314468, Table 7, Compound 4 BDBM221717 |
Inchi Key | BKTYGKVLRGWGKG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H34N6/c1-2-13-27-25(12-1)26-15-19-34-28(31(26)36-27)22-37(29-14-7-9-23-10-8-18-35-30(23)29)20-6-5-16-32-21-24-11-3-4-17-33-24/h1-4,8,10-13,15,17-19,29,32,36H,5-7,9,14,16,20-22H2 |
PubChem CID | 70923310 |
ChEMBL | CHEMBL3976878 |
IUPHAR | N/A |
BindingDB | 221717 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 5100.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218