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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 | CHEMBL464244 |
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Molecular formula | C23H31F4N3O4S |
IUPAC name | (2S)-4-[[(1'S,4'R)-7',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methylsulfonyl]-1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-2-methylpiperazine |
Molecular weight | 521.572 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | BDBM50412557 |
Inchi Key | RKXIJUWHKCDKAC-MRUHUIDDSA-N |
Inchi ID | InChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1 |
PubChem CID | 44570274 |
ChEMBL | CHEMBL464244 |
IUPHAR | N/A |
BindingDB | 50412557 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 39.81 nM | PMID19014886 | BindingDB,ChEMBL |
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