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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 | CHEMBL480114 |
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Molecular formula | C27H34N10O2 |
IUPAC name | 5-[3-(diaminomethylideneamino)propanoylamino]-1-[3-(diaminomethylideneamino)propyl]-N-[2-(1H-indol-3-yl)ethyl]indole-2-carboxamide |
Molecular weight | 530.637 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 7 |
XlogP | 0.0 |
Synonyms | SCHEMBL17974106 |
Inchi Key | CGZUGSQBAVEODG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H34N10O2/c28-26(29)33-10-3-13-37-22-7-6-19(36-24(38)9-12-34-27(30)31)14-18(22)15-23(37)25(39)32-11-8-17-16-35-21-5-2-1-4-20(17)21/h1-2,4-7,14-16,35H,3,8-13H2,(H,32,39)(H,36,38)(H4,28,29,33)(H4,30,31,34) |
PubChem CID | 44561484 |
ChEMBL | CHEMBL480114 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 70.0 % | PMID18539453 | ChEMBL |
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