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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	CHEMBL3894893
Molecular formula	C37H35ClF4N6O2S
IUPAC name	1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxy-4-[6-(trifluoromethyl)pyridin-3-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight	739.231
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	8.9
Synonyms	BDBM245407 SCHEMBL16782866 US9428504, 162
Inchi Key	BPQAXVMJNZGVIL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H35ClF4N6O2S/c1-35(2,3)19-47-14-12-36(13-15-47)20-48(32-27(49)17-23(39)30(31(32)36)21-8-11-29(43-18-21)37(40,41)42)26-7-5-4-6-24(26)44-33(50)46-34-45-25-10-9-22(38)16-28(25)51-34/h4-11,16-18,49H,12-15,19-20H2,1-3H3,(H2,44,45,46,50)
PubChem CID	118130680
ChEMBL	CHEMBL3894893
IUPHAR	N/A
BindingDB	245407
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	65.5 nM	, None	BindingDB,ChEMBL

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