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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	P2Y purinoceptor 2
Species	Homo sapiens (Human)
Gene	P2RY2
Synonym	Purinergic receptor purinergic receptor P2Y P2Y2 receptor P2Y2 P2Y purinoceptor 2 P2Y ATP receptor 2 P2U1 P2U receptor 1 P2U purinoceptor 1 ATP receptor [ Show all ]
Disease	Dry eye disease Constipation Cystic fibrosis Lung cancer
Length	377
Amino acid sequence	MAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
UniProt	P41231
Protein Data Bank	N/A
GPCR-HGmod model	P41231
3D structure model	This predicted structure model is from GPCR-EXP P41231.
BioLiP	N/A
Therapeutic Target Database	T93515
ChEMBL	CHEMBL4398
IUPHAR	324
DrugBank	BE0002401

Ligand

Name	MRS-4062
Molecular formula	C18H26N3O15P3
IUPAC name	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight	617.333
Hydrogen bond acceptor	15
Hydrogen bond donor	7
XlogP	-3.7
Synonyms	MRS 4062 BDBM50345486 N4-Phenylpropoxycytidine-5''-triphosphate [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate D06PIW N4-phenylpropoxycytidine-5'-triphosphate GTPL4044 MRS4062 CHEMBL1784894 ZINC71294960 [ Show all ]
Inchi Key	FAYLMQPZASAIOS-MWQQHZPXSA-N
Inchi ID	InChI=1S/C18H26N3O15P3/c22-15-13(11-33-38(28,29)36-39(30,31)35-37(25,26)27)34-17(16(15)23)21-9-8-14(19-18(21)24)20-32-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13,15-17,22-23H,4,7,10-11H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t13-,15-,16-,17-/m1/s1
PubChem CID	53262902
ChEMBL	CHEMBL1784894
IUPHAR	4044
BindingDB	50345486
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	640.0 nM	PMID21528910	BindingDB,ChEMBL
Ratio EC50	28.0 -	PMID21528910	ChEMBL

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