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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 | CHEMBL3981260 |
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Molecular formula | C32H34N6O5 |
IUPAC name | 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione |
Molecular weight | 582.661 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | BDBM50200692 |
Inchi Key | BEDLUCQNYSEXAU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H34N6O5/c1-21(25-8-10-27-26(18-25)13-15-42-27)37(19-22-3-6-24(7-4-22)32-33-35-36-34-32)20-23-5-9-28(29(17-23)41-2)43-16-14-38-30(39)11-12-31(38)40/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,33,34,35,36) |
PubChem CID | 134156632 |
ChEMBL | CHEMBL3981260 |
IUPHAR | N/A |
BindingDB | 50200692 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 126.0 nM | PMID27789137 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417