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Name | C-X-C chemokine receptor type 3 |
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Species | Homo sapiens (Human) |
Gene | CXCR3 |
Synonym | MigR IP-10 receptor Interferon-inducible protein 10 receptor GPR9 G protein-coupled receptor 9 [ Show all ] |
Disease | Inflammatory disease Autoimmune diabetes Inflammatory disorder Rheumatoid arthritis Psoriatic disorder |
Length | 368 |
Amino acid sequence | MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL |
UniProt | P49682 |
Protein Data Bank | N/A |
GPCR-HGmod model | P49682 |
3D structure model | This predicted structure model is from GPCR-EXP P49682. |
BioLiP | N/A |
Therapeutic Target Database | T25315 |
ChEMBL | CHEMBL4441 |
IUPHAR | 70 |
DrugBank | N/A |
Name | CHEMBL3916901 |
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Molecular formula | C25H30N2O5 |
IUPAC name | 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione |
Molecular weight | 438.524 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 2.5 |
Synonyms | BDBM50200679 |
Inchi Key | BSNWZBYWVSWGSR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3 |
PubChem CID | 134143368 |
ChEMBL | CHEMBL3916901 |
IUPHAR | N/A |
BindingDB | 50200679 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 74.0 nM | PMID27789137 | BindingDB,ChEMBL |
IC50 | 403.0 nM | PMID27789137 | BindingDB,ChEMBL |
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