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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 | CHEMBL395771 |
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Molecular formula | C33H31FN4O2 |
IUPAC name | N-[2-(dimethylamino)ethyl]-N-[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-phenylbenzamide |
Molecular weight | 534.635 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 5.8 |
Synonyms | BDBM50211139 biphenyl-4-carboxylic acid (2-dimethylamino-ethyl)-{(R)-1-[3-(4-fluoro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-yl]-ethyl}-amide |
Inchi Key | BCDDBRZQYJWIKG-HSZRJFAPSA-N |
Inchi ID | InChI=1S/C33H31FN4O2/c1-23(31-35-30-12-8-7-11-29(30)33(40)38(31)28-19-17-27(34)18-20-28)37(22-21-36(2)3)32(39)26-15-13-25(14-16-26)24-9-5-4-6-10-24/h4-20,23H,21-22H2,1-3H3/t23-/m1/s1 |
PubChem CID | 44426685 |
ChEMBL | CHEMBL395771 |
IUPHAR | N/A |
BindingDB | 50211139 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | PMID17448658 | BindingDB,ChEMBL |
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