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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	MLS000057767
Molecular formula	C15H10ClN3O2
IUPAC name	4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Molecular weight	299.714
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	HMS2166H13 SMR000061562 BDBM60214 MLS-0040589.0001 4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide cid_805087 Oprea1_068177 AC1LFLUY HMS3322J07 ZINC314277 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide F1374-0845 Oprea1_851308 AKOS001020587 MCULE-7317331559 CHEMBL1557648 MolPort-001-889-860 [ Show all ]
Inchi Key	YZLBFDGNVDNPIB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
PubChem CID	805087
ChEMBL	CHEMBL1557648
IUPHAR	N/A
BindingDB	60214
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	17308.0 nM	PubChem BioAssay data set	ChEMBL

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