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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 11
Species	Homo sapiens (Human)
Gene	P2RY11
Synonym	P2Y11 P2Y11 receptor purinergic receptor P2Y, G-protein coupled, 11
Disease	N/A
Length	374
Amino acid sequence	MAANVSGAKSCPANFLAAADDKLSGFQGDFLWPILVVEFLVAVASNGLALYRFSIRKQRPWHPAVVFSVQLAVSDLLCALTLPPLAAYLYPPKHWRYGEAACRLERFLFTCNLLGSVIFITCISLNRYLGIVHPFFARSHLRPKHAWAVSAAGWVLAALLAMPTLSFSHLKRPQQGAGNCSVARPEACIKCLGTADHGLAAYRAYSLVLAGLGCGLPLLLTLAAYGALGRAVLRSPGMTVAEKLRVAALVASGVALYASSYVPYHIMRVLNVDARRRWSTRCPSFADIAQATAALELGPYVGYQVMRGLMPLAFCVHPLLYMAAVPSLGCCCRHCPGYRDSWNPEDAKSTGQALPLNATAAPKPSEPQSRELSQ
UniProt	Q96G91
Protein Data Bank	N/A
GPCR-HGmod model	Q96G91
3D structure model	This predicted structure model is from GPCR-EXP Q96G91.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4867
IUPHAR	327
DrugBank	BE0005499

Ligand

Name	gamma-Thio-ATP
Molecular formula	C10H16N5O12P3S
IUPAC name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
Molecular weight	523.242
Hydrogen bond acceptor	17
Hydrogen bond donor	7
XlogP	-4.0
Synonyms	Adenosine 5'-[gamma-S]triphosphate ADENOSINE-5'-O-(1-THIOTRIPHOSPHATE), SP-ISOMER SODIUM SALT ATPgammaS 35094-46-3 Adenosine 5'-(gamma-thio)triphosphate Adenosine 5'-(trihydrogen diphosphate), p'-anhydride with phosphorothioic acid adenosine, 5'-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- alpha-Thioadenosine triphosphate CHEBI:27575 SCHEMBL77440 AC1L9949 Adenosine 5'-O-(gamma-thiotriphosphate) Adenosine-5'-(3-thiotriphosphate) ATP-gammaS DB02930 (gamma-S)ATP Adenosine 5'-(3-thiotriphosphate) Adenosine 5'-(gamma-thiotriphosphate) adenosine 5'-[gamma-thio]triphosphate AGS BDBM50118217 phosphothiophosphoric acid-adenylate ester 5'-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid (9CI) Adenosine, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) ATG [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate Adenosine 5'-(.gamma.-S)triphosphate Adenosine 5'-thiotriphosphate adenosine-5'-diphosphate monothiophosphate ATP.gamma.S Gamma Thio ATP 117750-47-7 Adenosine 5'-(gamma-S)triphosphate Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid Adenosine 5-O-(3-thiotriphophate) alpha-Thio-ATP C13742 SCHEMBL20164791 Adenosine 5'-O-(3-thiotriphosphate) ADENOSINE-5''-DIPHOSPHATE MONOTHIOPHOSPHATE ATP-gamma-S CHEMBL131890 [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid Adenosine 5'-(3-thio)triphosphate [ Show all ]
Inchi Key	NLTUCYMLOPLUHL-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
PubChem CID	440317
ChEMBL	CHEMBL131890
IUPHAR	N/A
BindingDB	50118217
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	63.1 nM	PMID17941622	ChEMBL
EC50	3000.0 nM	PMID12213051	BindingDB,ChEMBL

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