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Name | C-X-C chemokine receptor type 3 |
---|---|
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 | CHEMBL10309 |
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Molecular formula | C23H25BrN2O2 |
IUPAC name | 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione |
Molecular weight | 441.369 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | (+)-1''-(4-bromobenzyl)-3-phenyl-3,4''-bipiperidine-2,6-dione SCHEMBL13962970 1''-(4-Bromo-benzyl)-3-phenyl-[3,4'']bipiperidinyl-2,6-dione (+/-)-1''-(4-bromobenzyl)-3-phenyl-3,4''-bipiperidine-2,6-dione (-)-1''-(4-bromobenzyl)-3-phenyl-3,4''-bipiperidine-2,6-dione [ Show all ] |
Inchi Key | KIBLABCMQPRMIQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28) |
PubChem CID | 14479864 |
ChEMBL | CHEMBL10309 |
IUPHAR | N/A |
BindingDB | 50018553 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 330.0 nM | PMID18922694 | BindingDB,ChEMBL |
IC50 | 610.0 nM | PMID18922694 | BindingDB,ChEMBL |
IC50 | 780.0 nM | PMID18922694 | BindingDB,ChEMBL |
IC50 | 1330.0 nM | PMID18922694 | BindingDB,ChEMBL |
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