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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	SCHEMBL17077171
Molecular formula	C31H22ClF2N5O2S2
IUPAC name	1-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(6-fluoro-1,3-benzothiazol-2-yl)urea
Molecular weight	634.117
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	8.5
Synonyms	US9540323, 138
Inchi Key	BMRUTWRAWGMBAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H22ClF2N5O2S2/c1-31(2)14-39(27-22(40)13-17(34)25(26(27)31)28-35-20-11-15(32)7-10-23(20)42-28)21-6-4-3-5-18(21)36-29(41)38-30-37-19-9-8-16(33)12-24(19)43-30/h3-13,40H,14H2,1-2H3,(H2,36,37,38,41)
PubChem CID	136970176
ChEMBL	N/A
IUPHAR	N/A
BindingDB	260945
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	47.5 nM	N/A	BindingDB
Ki	48.0 nM	N/A	BindingDB

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