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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 | CHEMBL1809025 |
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Molecular formula | C24H24N4O2S |
IUPAC name | (6aR,9R)-9-(pyrrolidine-1-carbonyl)-N-thiophen-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide |
Molecular weight | 432.542 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | BDBM50349661 |
Inchi Key | OOAFUDLLZVCZTG-OXQOHEQNSA-N |
Inchi ID | InChI=1S/C24H24N4O2S/c29-23(27-8-1-2-9-27)16-11-18-17-5-3-6-19-22(17)15(13-25-19)12-20(18)28(14-16)24(30)26-21-7-4-10-31-21/h3-7,10-11,13,16,20,25H,1-2,8-9,12,14H2,(H,26,30)/t16-,20-/m1/s1 |
PubChem CID | 56677273 |
ChEMBL | CHEMBL1809025 |
IUPHAR | N/A |
BindingDB | 50349661 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 8.0 nM | PMID21764306 | BindingDB,ChEMBL |
IC50 | 37.0 nM | PMID21764306 | BindingDB,ChEMBL |
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