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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	CHEMBL402793
Molecular formula	C23H18F3N5O3
IUPAC name	1-[2-(5-methyl-2-pyridin-3-ylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight	469.424
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.8
Synonyms	BDBM50373295
Inchi Key	APPZNEHVEDRDMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H18F3N5O3/c1-15-13-21(31(30-15)17-5-4-12-27-14-17)33-20-7-3-2-6-19(20)29-22(32)28-16-8-10-18(11-9-16)34-23(24,25)26/h2-14H,1H3,(H2,28,29,32)
PubChem CID	44448868
ChEMBL	CHEMBL402793
IUPHAR	N/A
BindingDB	50373295
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID18445527	BindingDB,ChEMBL

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