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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 | CHEMBL479426 |
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Molecular formula | C20H25F4N3O3S |
IUPAC name | (1S,4R)-1-[[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one |
Molecular weight | 463.492 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | BDBM50412564 |
Inchi Key | ZSBAUNAHYMLNTH-BFUOFWGJSA-N |
Inchi ID | InChI=1S/C20H25F4N3O3S/c1-18(2)13-3-4-19(18,16(28)10-13)12-31(29,30)27-7-5-26(6-8-27)17-15(21)9-14(11-25-17)20(22,23)24/h9,11,13H,3-8,10,12H2,1-2H3/t13-,19-/m1/s1 |
PubChem CID | 44570385 |
ChEMBL | CHEMBL479426 |
IUPHAR | N/A |
BindingDB | 50412564 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 158.49 nM | PMID19014886 | BindingDB,ChEMBL |
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