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GPCR

Name	P2Y purinoceptor 1
Species	Homo sapiens (Human)
Gene	P2RY1
Synonym	ATP receptor Purinergic receptor P2Y1 purinergic receptor P2Y Purinergic receptor platelet ADP receptor P2Y1 receptor P2Y1 P2Y purinoceptor 1 P2Y ATP receptor 1 ADP receptor {ECO:0000303\|PubMed:9038354} P2 purinoceptor subtype Y1 [ Show all ]
Disease	Thrombosis
Length	373
Amino acid sequence	MTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL
UniProt	P47900
Protein Data Bank	4xnv, 4xnw
GPCR-HGmod model	P47900
3D structure model	This structure is from PDB ID 4xnv.
BioLiP	BL0311594,BL0311596, BL0311593, BL0311590,BL0311591,BL0311592, BL0311589, BL0311588, BL0311595,BL0311597
Therapeutic Target Database	T67818
ChEMBL	CHEMBL4315
IUPHAR	323
DrugBank	N/A

Ligand

Name	Adenosine triphosphate
Molecular formula	C10H16N5O13P3
IUPAC name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight	507.181
Hydrogen bond acceptor	17
Hydrogen bond donor	7
XlogP	-5.7
Synonyms	EINECS 200-283-2 917074-14-7 LS-15176 Adenosine 5'-(tetrahydrogen triphosphate) Striadyne Adenosine 5'-triphosphorate W-105506 Adenylpyrophosphorate AKOS022179934 ATPace bmse000006 1maw CC-23792 1yid D0O6QI 71800-44-7 FT-0621909 A9788C43-4BC5-46E2-8560-41C5FA7D3AA3 NCGC00163309-01 Adenosine 5'-triphosphate (intravenous, arrhythmia), Cordex Triphosaden Adenosine, 5'-(tetrahydrogen triphosphate) ZKHQWZAMYRWXGA-KQYNXXCUSA-N Adetol AS-19204 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid BDBM2 1gz3 C-22981 1t44 CHEMBL14249 2fgh DB00171 DSSTox_RID_76629 8L70Q75FXE H4atp Adenosine 5 inverted exclamation marka-triphosphate (ATP) disodium salt hydrate SCHEMBL8979 Adenosine 5'-triphosphate (intravenous, paroxysmal supraventricular tachycardia (PSVT)), Duska Triphosphoric acid adenosine ester adenosine-triphosphate [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid AJ-70571 ATP (nucleotide) 1259312-93-0 Bio1_000895 1m83 Cardenosine 1xsc D02LMZ 5'-(tetrahydrogen triphosphate) Adenosine 51569-41-6 Epitope ID:135612 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl] MolPort-002-533-479 Adenosine 5'-triphosphate Tox21_112044 Adenosine 5'-triphosphoric acid X5319 Adenylpyrophosphoric acid AN-41693 ATPase 1b38 bmse000854 1r0x CHEBI:15422 DB-022415 DSSTox_CID_2559 84412-18-0 Glucobasin AC1L1LHX Phosphobion Adenosine 5'-triphosphate (intravenous, arrhythmia), Duska Triphosadenine (DCF) adenosine-5'-triphosphate [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate Ado-5'-P-P-P Atipi 065A467 BDBM50366480 1gz4 C00002 1vjc CS-7674 34369-07-8 DTXSID6022559 9-beta-D-Arabinofuranosyladenine 5'-triphosphate HY-B2176 adenosine 5' triphosphate ST24045923 Adenosine 5'-triphosphate; Triphosphaden UNII-8L70Q75FXE Adenosintriphosphorsaeure AK-54737 ATP disodium hydrate 16488-07-6 Bio1_001384 1mau CAS-56-65-5 1y8p D08646 5'-Atp 56-65-5 Fosfobion 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-ribofuranosyl]- Myotriphos Adenosine 5'-triphosphate (intravenous, arrhythmia) Triadenyl ZINC4261765 Adephos Ara-ATP ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate Atriphos 1b39 bmse000993 1r10 2cbz DSSTox_GSID_22559 896506-78-8 GTPL1713 ACT02649 RT-001349 Adenosine 5'-triphosphate (intravenous, bradycardia-induced syncopy (fainting)), Duska Triphosphaden adenosine-5'-triphosphoric acid [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Adynol ATP 10168-83-9 Bio1_000406 1kxp C10H16N5O13P3 1vjd CTK3J3236 3h-adenosine triphosphate [ Show all ]
Inchi Key	ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PubChem CID	5957
ChEMBL	CHEMBL14249
IUPHAR	1713
BindingDB	50366480, 2
DrugBank	DB00171
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	150.0 nM	PMID21090681	BindingDB,ChEMBL
EC50	200.0 nM	PMID20175517	BindingDB,ChEMBL
EC50	850.0 nM	PMID26447940, PMID24846781, PMID23751098	BindingDB,ChEMBL
EC50	1500.0 nM	PMID11985476	BindingDB,ChEMBL
EC50	2800.0 nM	PMID11985476	BindingDB
IC50	15.8489 - 794.328 nM	PMID9154346, PMID12391289	IUPHAR
Ki	15848.9 nM	PMID9547364	IUPHAR

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