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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	SCHEMBL15596961
Molecular formula	C31H24F4N4O4
IUPAC name	1-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight	592.551
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	7.5
Synonyms	US9540323, 98 US9540323, 92
Inchi Key	AQPUDLXYSUGWMQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H24F4N4O4/c1-30(2)16-39(27-24(40)14-12-20(26(27)30)28-37-22-13-7-17(32)15-25(22)42-28)23-6-4-3-5-21(23)38-29(41)36-18-8-10-19(11-9-18)43-31(33,34)35/h3-15,40H,16H2,1-2H3,(H2,36,38,41)
PubChem CID	136612377
ChEMBL	N/A
IUPHAR	N/A
BindingDB	260901
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	26.7 nM	N/A	BindingDB
Ki	27.0 nM	N/A	BindingDB
Ki	36.6 nM	N/A	BindingDB
Ki	37.0 nM	N/A	BindingDB

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