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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	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	CHEMBL239814
Molecular formula	C14H22NO14P3
IUPAC name	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(1-oxo-5,6,7,8-tetrahydroisoquinolin-2-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight	521.244
Hydrogen bond acceptor	14
Hydrogen bond donor	6
XlogP	-4.0
Synonyms	BDBM50195827 SCHEMBL6800439 ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(1-oxo-1,2,5,6,7,8-hexahydroisoquinolin-2-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Inchi Key	BXYVFXVHWLQNDH-HKUMRIAESA-N
Inchi ID	InChI=1S/C14H22NO14P3/c16-11-10(7-26-31(22,23)29-32(24,25)28-30(19,20)21)27-14(12(11)17)15-6-5-8-3-1-2-4-9(8)13(15)18/h5-6,10-12,14,16-17H,1-4,7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t10-,11-,12-,14-/m1/s1
PubChem CID	44439745
ChEMBL	CHEMBL239814
IUPHAR	N/A
BindingDB	50195827
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	55.0 nM	PMID17011188	BindingDB,ChEMBL

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