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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	C-X-C chemokine receptor type 5
Species	Homo sapiens (Human)
Gene	CXCR5
Synonym	BLR-1 NLR neurolymphatic receptor Monocyte-derived receptor 15 MDR15 MDR-15 Gpcr6 CXCR5 CXCR-5 CXC-R5 CD185 Burkitt lymphoma receptor 1 [ Show all ]
Disease	Systemic lupus erythematosus
Length	372
Amino acid sequence	MNYPLTLEMDLENLEDLFWELDRLDNYNDTSLVENHLCPATEGPLMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVADLLLVFILPFAVAEGSVGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVHAYRHRRLLSIHITCGTIWLVGFLLALPEILFAKVSQGHHNNSLPRCTFSQENQAETHAWFTSRFLYHVAGFLLPMLVMGWCYVGVVHRLRQAQRRPQRQKAVRVAILVTSIFFLCWSPYHIVIFLDTLARLKAVDNTCKLNGSLPVAITMCEFLGLAHCCLNPMLYTFAGVKFRSDLSRLLTKLGCTGPASLCQLFPSWRRSSLSESENATSLTTF
UniProt	P32302
Protein Data Bank	N/A
GPCR-HGmod model	P32302
3D structure model	This predicted structure model is from GPCR-EXP P32302.
BioLiP	N/A
Therapeutic Target Database	T09528
ChEMBL	CHEMBL1075315
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SCHEMBL3309928
Molecular formula	C22H25NO4
IUPAC name	2-[methyl-(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight	367.445
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	AKRIXYOVYPURCR-UHFFFAOYSA-N 2-[(2-Isopropoxy-3-methyl-benzoyl)-methyl-amino]-indan-2-carboxylic acid CHEMBL3719022
Inchi Key	AKRIXYOVYPURCR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25NO4/c1-14(2)27-19-15(3)8-7-11-18(19)20(24)23(4)22(21(25)26)12-16-9-5-6-10-17(16)13-22/h5-11,14H,12-13H2,1-4H3,(H,25,26)
PubChem CID	59314395
ChEMBL	CHEMBL3719022
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<30000.0 nM	None	ChEMBL

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