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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	SCHEMBL3308427
Molecular formula	C23H23NO3
IUPAC name	2-[[2-[(E)-2-cyclopropylethenyl]-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight	361.441
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.6
Synonyms	MCKNHMQFPZQZNR-VAWYXSNFSA-N CHEMBL3718838 2-[2-((E)-2-cyclopropyl-vinyl)-3-methyl-benzoylamino]-indan-2-carboxylic acid
Inchi Key	MCKNHMQFPZQZNR-VAWYXSNFSA-N
Inchi ID	InChI=1S/C23H23NO3/c1-15-5-4-8-20(19(15)12-11-16-9-10-16)21(25)24-23(22(26)27)13-17-6-2-3-7-18(17)14-23/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,24,25)(H,26,27)/b12-11+
PubChem CID	25160796
ChEMBL	CHEMBL3718838
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	8200.0 nM	None	ChEMBL

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