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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 | CHEMBL253248 |
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Molecular formula | C26H37FN4O3 |
IUPAC name | 1-[1-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]piperidin-4-yl]-3-(3-fluoro-5-propan-2-yloxyphenyl)urea |
Molecular weight | 472.605 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | BDBM50227864 1-(1-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)-3-(3-fluoro-5-isopropoxyphenyl)urea |
Inchi Key | CDGXEEULJKFSAV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H37FN4O3/c1-17(2)34-25-14-20(27)13-22(15-25)29-26(33)28-21-7-9-30(10-8-21)16-19-11-23-5-4-6-24(12-19)31(23)18(3)32/h11,13-15,17,21,23-24H,4-10,12,16H2,1-3H3,(H2,28,29,33) |
PubChem CID | 44446454 |
ChEMBL | CHEMBL253248 |
IUPHAR | N/A |
BindingDB | 50227864 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3.0 nM | PMID18032038 | BindingDB,ChEMBL |
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