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GLASS

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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	CHEMBL3900332
Molecular formula	C31H33F3N6OS
IUPAC name	1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-7-ol
Molecular weight	594.701
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	7.2
Synonyms	BDBM177969 SCHEMBL16894539 US9120798, 6
Inchi Key	BEAXBJADFUQQRI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H33F3N6OS/c1-29(2,3)18-39-16-13-30(14-17-39)19-40(26-24(41)12-11-20(25(26)30)31(32,33)34)23-10-5-4-8-21(23)36-28-38-37-27(42-28)22-9-6-7-15-35-22/h4-12,15,41H,13-14,16-19H2,1-3H3,(H,36,38)
PubChem CID	73053123
ChEMBL	CHEMBL3900332
IUPHAR	N/A
BindingDB	177969
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	11.0 nM	, None	BindingDB,ChEMBL

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