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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	MLS001116168
Molecular formula	C19H15ClFN3O3S
IUPAC name	5-chloro-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
Molecular weight	419.855
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide SMR000625791 5-chloro-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide HMS2956K13 AKOS001523551 5-chloro-N-(4-fluorophenyl)-2-(2-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide CHEMBL1477528 STK517433 5-chloro-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide MCULE-2267422856 BDBM54506 MolPort-000-542-293 5-chloro-N-(4-fluorophenyl)-2-[(2-methylbenzyl)sulfonyl]pyrimidine-4-carboxamide cid_16452954 ZINC9206947 MLS-0363689.0001 [ Show all ]
Inchi Key	LIEQNFQFBUWUFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
PubChem CID	16452954
ChEMBL	CHEMBL1477528
IUPHAR	N/A
BindingDB	54506
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	14171.0 nM	PubChem BioAssay data set	ChEMBL

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