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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-X-C chemokine receptor type 3
Species	Homo sapiens (Human)
Gene	CXCR3
Synonym	MigR IP-10 receptor Interferon-inducible protein 10 receptor GPR9 G protein-coupled receptor 9 Cxcr3 CXCR-3 CXC-R3 CKR-L2 chemokine (C-X-C motif) receptor 3 CD183 [ 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

Ligand

Name	CHEMBL1681876
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 SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	830.0 nM	PMID21277198	BindingDB,ChEMBL

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