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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 | CHEMBL1808995 |
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Molecular formula | C24H24N4O2 |
IUPAC name | (6aR,9R)-9-N-ethyl-7-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7,9-dicarboxamide |
Molecular weight | 400.482 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 3 |
XlogP | 2.5 |
Synonyms | BDBM50349637 |
Inchi Key | NWYXNUNTGUOICU-IIBYNOLFSA-N |
Inchi ID | InChI=1S/C24H24N4O2/c1-2-25-23(29)16-11-19-18-9-6-10-20-22(18)15(13-26-20)12-21(19)28(14-16)24(30)27-17-7-4-3-5-8-17/h3-11,13,16,21,26H,2,12,14H2,1H3,(H,25,29)(H,27,30)/t16-,21-/m1/s1 |
PubChem CID | 56680588 |
ChEMBL | CHEMBL1808995 |
IUPHAR | N/A |
BindingDB | 50349637 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 71.0 nM | PMID21764306 | BindingDB,ChEMBL |
IC50 | 379.0 nM | PMID21764306 | BindingDB,ChEMBL |
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