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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 | CHEMBL253928 |
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Molecular formula | C24H30F4N4O3 |
IUPAC name | ethyl 3-[[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]methyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
Molecular weight | 498.523 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | BDBM50227874 3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido]-piperidin-1-ylmethyl}-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid ethyl ester |
Inchi Key | VJFABTBDUNBUDS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H30F4N4O3/c1-2-35-23(34)32-20-3-4-21(32)10-15(9-20)14-31-7-5-18(6-8-31)29-22(33)30-19-12-16(24(26,27)28)11-17(25)13-19/h9,11-13,18,20-21H,2-8,10,14H2,1H3,(H2,29,30,33) |
PubChem CID | 44446438 |
ChEMBL | CHEMBL253928 |
IUPHAR | N/A |
BindingDB | 50227874 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 190.0 nM | PMID18032038 | BindingDB,ChEMBL |
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