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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 | CHEMBL1808997 |
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Molecular formula | C28H32N4O4 |
IUPAC name | (6aR,9R)-9-N,9-N-bis(2-methoxyethyl)-7-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7,9-dicarboxamide |
Molecular weight | 488.588 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.0 |
Synonyms | BDBM50349639 |
Inchi Key | ZWQFKHFUOPFJAH-CJFMBICVSA-N |
Inchi ID | InChI=1S/C28H32N4O4/c1-35-13-11-31(12-14-36-2)27(33)20-15-23-22-9-6-10-24-26(22)19(17-29-24)16-25(23)32(18-20)28(34)30-21-7-4-3-5-8-21/h3-10,15,17,20,25,29H,11-14,16,18H2,1-2H3,(H,30,34)/t20-,25-/m1/s1 |
PubChem CID | 56660098 |
ChEMBL | CHEMBL1808997 |
IUPHAR | N/A |
BindingDB | 50349639 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 187.0 nM | PMID21764306 | BindingDB,ChEMBL |
IC50 | 305.0 nM | PMID21764306 | BindingDB,ChEMBL |
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