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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	MLS001171697
Molecular formula	C23H22FN3OS2
IUPAC name	2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Molecular weight	439.567
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.6
Synonyms	cid_2460453 Z24750889 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(4-fluorophenyl)-6-methyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one AC1M73U5 MLS-0354500.0001 2-(2-dimethylaminoethylsulfanyl)-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one REGID_for_CID_2460453 2-[2-(dimethylamino)ethylthio]-5-(4-fluorophenyl)-6-methyl-3-phenyl-4-thieno[2,3-d]pyrimidinone 734545-70-1 HMS2907B20 ZINC3343977 AKOS033923472 2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CHEMBL1382003 SMR000589497 2-[2-(dimethylamino)ethylthio]-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one MCULE-2427285714 BDBM80039 MolPort-005-874-815 2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one [ Show all ]
Inchi Key	WIQVPSDSSXAQHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22FN3OS2/c1-15-19(16-9-11-17(24)12-10-16)20-21(30-15)25-23(29-14-13-26(2)3)27(22(20)28)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3
PubChem CID	2460453
ChEMBL	CHEMBL1382003
IUPHAR	N/A
BindingDB	80039
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	21895.0 nM	PubChem BioAssay data set	ChEMBL

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