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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	CHEMBL3925641
Molecular formula	C31H31F4N5O2S
IUPAC name	1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[2-[7-hydroxy-1'-(2-methylpropyl)-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight	613.676
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	7.3
Synonyms	US9428504, 31 BDBM245293 SCHEMBL16782798
Inchi Key	ARYGIEUEXLAFQX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H31F4N5O2S/c1-18(2)16-39-13-11-30(12-14-39)17-40(27-24(41)10-8-20(26(27)30)31(33,34)35)23-6-4-3-5-21(23)36-28(42)38-29-37-22-9-7-19(32)15-25(22)43-29/h3-10,15,18,41H,11-14,16-17H2,1-2H3,(H2,36,37,38,42)
PubChem CID	118130618
ChEMBL	CHEMBL3925641
IUPHAR	N/A
BindingDB	245293
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	16.4 nM	, None	BindingDB,ChEMBL

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