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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	SCHEMBL3313970
Molecular formula	C22H22F3NO4
IUPAC name	2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-5-(trifluoromethyl)-1,3-dihydroindene-2-carboxylic acid
Molecular weight	421.416
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.7
Synonyms	2-(2-Isopropoxy-3-methyl-benzoylamino)-5-trifluoromethyl-indan-2-carboxylic acid PMGMYYQMBLQSCM-UHFFFAOYSA-N CHEMBL3715190
Inchi Key	PMGMYYQMBLQSCM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22F3NO4/c1-12(2)30-18-13(3)5-4-6-17(18)19(27)26-21(20(28)29)10-14-7-8-16(22(23,24)25)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,26,27)(H,28,29)
PubChem CID	25160543
ChEMBL	CHEMBL3715190
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	14750.0 nM	None	ChEMBL

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