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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	CHEMBL3896467
Molecular formula	C31H32ClF3N6OS
IUPAC name	4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[[5-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-thiadiazol-2-yl]amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
Molecular weight	629.143
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	7.8
Synonyms	BDBM177971 SCHEMBL15605985 US9120798, 8
Inchi Key	AAUMEBRGOQIAOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H32ClF3N6OS/c1-29(2,3)17-40-14-12-30(13-15-40)18-41(26-24(42)11-9-20(32)25(26)30)23-7-5-4-6-21(23)37-28-39-38-27(43-28)22-10-8-19(16-36-22)31(33,34)35/h4-11,16,42H,12-15,17-18H2,1-3H3,(H,37,39)
PubChem CID	73053268
ChEMBL	CHEMBL3896467
IUPHAR	N/A
BindingDB	177971
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
IC50	7.0 nM	, None	BindingDB,ChEMBL

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