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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	SCHEMBL15596944
Molecular formula	C26H22F7N3O3
IUPAC name	1-[2-[6-fluoro-7-hydroxy-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight	557.469
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	7.4
Synonyms	US9540323, 79
Inchi Key	BFSVIWGWYLEXMM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H22F7N3O3/c1-24(2)13-36(21-20(24)14(12-25(28,29)30)11-17(27)22(21)37)19-6-4-3-5-18(19)35-23(38)34-15-7-9-16(10-8-15)39-26(31,32)33/h3-11,37H,12-13H2,1-2H3,(H2,34,35,38)
PubChem CID	90062950
ChEMBL	N/A
IUPHAR	N/A
BindingDB	260888
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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	9.7 nM	N/A	BindingDB

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