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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	CHEMBL1169909
Molecular formula	C29H32N2O2
IUPAC name	1-(4-pentylphenyl)-3-[2-(2-propan-2-ylphenyl)-1-benzofuran-7-yl]urea
Molecular weight	440.587
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	8.1
Synonyms	1-(4-pentylphenyl)-3-[2-(2-propan-2-ylphenyl)-1-benzofuran-7-yl]urea GlaxoSmithKline compound 5h [PMID:20542694] BDBM50321586 D0NJ7Y GTPL5807 1-(2-(2-isopropylphenyl)benzofuran-7-yl)-3-(4-pentylphenyl)urea GlaxoSmithKline compound 5h [ Show all ]
Inchi Key	ASCJIAKBYVUVNZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H32N2O2/c1-4-5-6-10-21-15-17-23(18-16-21)30-29(32)31-26-14-9-11-22-19-27(33-28(22)26)25-13-8-7-12-24(25)20(2)3/h7-9,11-20H,4-6,10H2,1-3H3,(H2,30,31,32)
PubChem CID	46911435
ChEMBL	CHEMBL1169909
IUPHAR	5807
BindingDB	50321586
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	630.0 nM	PMID20542694	BindingDB,ChEMBL
Ki	140.0 nM	PMID20542694	BindingDB,IUPHAR,ChEMBL

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