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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 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	Adpbetas
Molecular formula	C10H15N5O9P2S
IUPAC name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
Molecular weight	443.264
Hydrogen bond acceptor	14
Hydrogen bond donor	6
XlogP	-2.9
Synonyms	5'-Adenosine diphosphate beta-S AC1NSJSN ADP-gamma-S [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate 5'-Adps Adenosine 5-O-(3-thiodiphophate) AN-25175 EINECS 277-530-6 (32S)Adenosine 5'-O-(2-thiodiphosphate) 73536-95-5 ADP beta S beta-Thio-ADP SCHEMBL3096785 35094-45-2 (Parent) 5'-Adenylic acid, monoanhydride with phosphorothioic acid adenosine 5'-O-(2-thiodiphosphate) CHEMBL335206 5'-O-[(R)-Hydroxy(Thiophosphonooxy)phosphoryl]adenosine adenosine-5''-O-beta-thiodiphosphate AT4 GTPL1755 73536-95-5 (trilithium salt) ADP-beta-S C13743 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate 5''-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE 5'-Adenylic acid, monoanhydride with phosphorothioic acid, trilithium salt adenosine 5'-O-(3-thio-diphosphate) AKOS015916558 D0V4GQ Adenosine-5'-O-(2-thiodiphosphate) BDBM50118230 I14-51603 35094-45-2 [ Show all ]
Inchi Key	HCIKUKNAJRJFOW-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
PubChem CID	5310996
ChEMBL	CHEMBL335206
IUPHAR	1755
BindingDB	50118230
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.

Experimental Data

Parameter	Value	Reference	Database source
EC50	49.9 nM	PMID11502873	IUPHAR
EC50	1270.0 nM	PMID26447940	BindingDB,ChEMBL

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