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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 | CHEMBL254537 |
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Molecular formula | C26H34F4N4O2 |
IUPAC name | 1-[1-[[8-(2,2-dimethylpropanoyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea |
Molecular weight | 510.578 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | BDBM50227865 1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((8-pivaloyl-8-aza-bicyclo[3.2.1]oct-2-en-3-yl)methyl)piperidin-4-yl)urea |
Inchi Key | CDCZLRGESVEODJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H34F4N4O2/c1-25(2,3)23(35)34-21-4-5-22(34)11-16(10-21)15-33-8-6-19(7-9-33)31-24(36)32-20-13-17(26(28,29)30)12-18(27)14-20/h10,12-14,19,21-22H,4-9,11,15H2,1-3H3,(H2,31,32,36) |
PubChem CID | 44446445 |
ChEMBL | CHEMBL254537 |
IUPHAR | N/A |
BindingDB | 50227865 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 18.0 nM | PMID18032038 | BindingDB,ChEMBL |
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