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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	CHEMBL3951413
Molecular formula	C37H35ClFN7O2S2
IUPAC name	1-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[1'-(2,2-dimethylpropyl)-4-(6-fluoro-1,3-benzothiazol-2-yl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight	728.302
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	9.1
Synonyms	BDBM245394 SCHEMBL16782818 US9428504, 144
Inchi Key	BFTHWWMBOIETHI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H35ClFN7O2S2/c1-36(2,3)19-45-16-14-37(15-17-45)20-46(31-27(47)12-9-22(30(31)37)32-40-24-10-8-21(39)18-28(24)49-32)26-7-5-4-6-23(26)41-34(48)44-35-42-25-11-13-29(38)43-33(25)50-35/h4-13,18,47H,14-17,19-20H2,1-3H3,(H2,41,42,44,48)
PubChem CID	136992591
ChEMBL	CHEMBL3951413
IUPHAR	N/A
BindingDB	245394
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	13.0 nM	N/A	BindingDB
Ki	13.0 nM	None	ChEMBL

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