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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 | CHEMBL1681876 |
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Molecular formula | C29H33Cl2N5O |
IUPAC name | 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-phenylpiperazin-1-yl]-N-methylpyridine-3-carboxamide |
Molecular weight | 538.517 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | BDBM50337244 (S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-phenylpiperazin-1-yl)-N-methylnicotinamide |
Inchi Key | BQGPSOUAQNSHSM-HHHXNRCGSA-N |
Inchi ID | InChI=1S/C29H33Cl2N5O/c1-32-29(37)23-17-26(31)28(33-18-23)35-15-16-36(27(20-35)22-5-3-2-4-6-22)25-11-13-34(14-12-25)19-21-7-9-24(30)10-8-21/h2-10,17-18,25,27H,11-16,19-20H2,1H3,(H,32,37)/t27-/m1/s1 |
PubChem CID | 53318914 |
ChEMBL | CHEMBL1681876 |
IUPHAR | N/A |
BindingDB | 50337244 |
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 | 830.0 nM | PMID21277198 | BindingDB,ChEMBL |
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