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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 | CHEMBL464065 |
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Molecular formula | C21H29F4N3O3S |
IUPAC name | (1S,2R,4R)-1-[[(3S)-4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-3-methylpiperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol |
Molecular weight | 479.535 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50412560 |
Inchi Key | PMSFEOUVENKQAA-AADOQKPJSA-N |
Inchi ID | InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17+,20+/m0/s1 |
PubChem CID | 44570273 |
ChEMBL | CHEMBL464065 |
IUPHAR | N/A |
BindingDB | 50412560 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 63.1 nM | PMID19014886 | BindingDB,ChEMBL |
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