Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	P2Y purinoceptor 1
Species	Meleagris gallopavo (Wild turkey)
Gene	P2RY1
Synonym	6H1 orphan receptor ADP receptor P2Y1 Purinergic receptor
Disease	N/A for non-human GPCRs
Length	362
Amino acid sequence	MTEALISAALNGTQPELLAGGWAAGNASTKCSLTKTGFQFYYLPTVYILVFITGFLGNSVAIWMFVFHMRPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDVMCKLQRFIFHVNLYGSILFLTCISVHRYTGVVHPLKSLGRLKKKNAVYVSSLVWALVVAVIAPILFYSGTGVRRNKTITCYDTTADEYLRSYFVYSMCTTVFMFCIPFIVILGCYGLIVKALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYLPFHVMKTLNLRARLDFQTPQMCAFNDKVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKSSRRSEPNVQSKSEEMTLNILTEYKQNGDTSL
UniProt	P49652
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5720
IUPHAR	N/A
DrugBank	N/A

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-O-(3-thiotriphophate) alpha-Thio-ATP C13742 SCHEMBL20164791 Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid 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 Adenosine 5'-O-(3-thiotriphosphate) 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'-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- alpha-Thioadenosine triphosphate CHEBI:27575 SCHEMBL77440 AC1L9949 Adenosine 5'-(trihydrogen diphosphate), p'-anhydride with phosphorothioic acid Adenosine 5'-O-(gamma-thiotriphosphate) Adenosine-5'-(3-thiotriphosphate) ATP-gammaS DB02930 (gamma-S)ATP Adenosine 5'-(3-thiotriphosphate) adenosine 5'-[gamma-thio]triphosphate AGS BDBM50118217 phosphothiophosphoric acid-adenylate ester 5'-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine Adenosine 5'-(gamma-thiotriphosphate) 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'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid (9CI) Adenosine 5'-thiotriphosphate adenosine-5'-diphosphate monothiophosphate ATP.gamma.S Gamma Thio ATP 117750-47-7 Adenosine 5'-(gamma-S)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	1300.0 nM	PMID12213051	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417