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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	SCHEMBL3309533
Molecular formula	C21H18Cl2FNO4
IUPAC name	2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
Molecular weight	438.276
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.9
Synonyms	CHEMBL3716354 2-(3,5-Dichloro-2-cyclobutoxy-benzoylamino)-5-fluoro-indan-2-carboxylic acid KXMYCMOTDIYDMS-UHFFFAOYSA-N
Inchi Key	KXMYCMOTDIYDMS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18Cl2FNO4/c22-13-7-16(18(17(23)8-13)29-15-2-1-3-15)19(26)25-21(20(27)28)9-11-4-5-14(24)6-12(11)10-21/h4-8,15H,1-3,9-10H2,(H,25,26)(H,27,28)
PubChem CID	25160280
ChEMBL	CHEMBL3716354
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	268.0 nM	None	ChEMBL

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