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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 | CHEMBL1809006 |
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Molecular formula | C27H29N5O2 |
IUPAC name | (6aR,9R)-9-(4-methylpiperazine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide |
Molecular weight | 455.562 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 2.2 |
Synonyms | BDBM50349647 |
Inchi Key | CVGQIJAZGUTYJV-NTKDMRAZSA-N |
Inchi ID | InChI=1S/C27H29N5O2/c1-30-10-12-31(13-11-30)26(33)19-14-22-21-8-5-9-23-25(21)18(16-28-23)15-24(22)32(17-19)27(34)29-20-6-3-2-4-7-20/h2-9,14,16,19,24,28H,10-13,15,17H2,1H3,(H,29,34)/t19-,24-/m1/s1 |
PubChem CID | 56673938 |
ChEMBL | CHEMBL1809006 |
IUPHAR | N/A |
BindingDB | 50349647 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 83.0 nM | PMID21764306 | BindingDB,ChEMBL |
IC50 | 131.0 nM | PMID21764306 | BindingDB,ChEMBL |
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