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GLASS

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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	CHEMBL1162203
Molecular formula	C25H31FN6O23P4
IUPAC name	[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-[4-[(4-fluorophenyl)carbamoylamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight	926.435
Hydrogen bond acceptor	24
Hydrogen bond donor	11
XlogP	-7.8
Synonyms	BDBM50371605
Inchi Key	BOVGYNHHSAMXND-JNLDUZMVSA-N
Inchi ID	InChI=1S/C25H31FN6O23P4/c26-11-1-3-12(4-2-11)27-23(38)28-15-5-7-31(24(39)29-15)21-19(36)17(34)13(51-21)9-49-56(41,42)53-58(45,46)55-59(47,48)54-57(43,44)50-10-14-18(35)20(37)22(52-14)32-8-6-16(33)30-25(32)40/h1-8,13-14,17-22,34-37H,9-10H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,30,33,40)(H2,27,28,29,38,39)/t13-,14+,17-,18+,19-,20+,21-,22+/m1/s1
PubChem CID	44457439
ChEMBL	CHEMBL1162203
IUPHAR	N/A
BindingDB	50371605
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
Activity	5.0 %	PMID18232657	ChEMBL

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