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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 | CHEMBL1809012 |
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Molecular formula | C27H28N4O4 |
IUPAC name | (6aR,9R)-9-[(3S,4R)-3,4-dihydroxypiperidine-1-carbonyl]-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide |
Molecular weight | 472.545 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 4 |
XlogP | 1.2 |
Synonyms | BDBM50349653 |
Inchi Key | FCCMYTLKPUHBPV-BMZZKGLRSA-N |
Inchi ID | InChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1 |
PubChem CID | 56667006 |
ChEMBL | CHEMBL1809012 |
IUPHAR | N/A |
BindingDB | 50349653 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 50.0 nM | PMID21764306 | BindingDB,ChEMBL |
IC50 | 200.0 nM | PMID21764306 | BindingDB,ChEMBL |
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