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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 | CHEMBL545063 |
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Molecular formula | C30H57BrN6 |
IUPAC name | 5-[[4-(1,5,9-triazacyclotetradec-5-ylmethyl)phenyl]methyl]-1,5,9-triazacyclotetradecane;hydrobromide |
Molecular weight | 581.732 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | None |
Synonyms | N/A |
Inchi Key | CRSYHCZAGQGVNY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H56N6.BrH/c1-3-15-31-19-7-23-35(24-8-20-32-16-4-1)27-29-11-13-30(14-12-29)28-36-25-9-21-33-17-5-2-6-18-34-22-10-26-36;/h11-14,31-34H,1-10,15-28H2;1H |
PubChem CID | 45261851 |
ChEMBL | CHEMBL545063 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <35000.0 nM | PMID10508445 | ChEMBL |
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