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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL2401799
Molecular formula	C28H31N3OS
IUPAC name	4-tert-butyl-N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-phenyl-1,3-thiazol-2-amine
Molecular weight	457.636
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	8.7
Synonyms	BDBM50436917 SCHEMBL12681076
Inchi Key	APQMVTDYOJHJQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31N3OS/c1-27(2,3)20-15-10-11-17-22(20)32-25-21(16-12-18-29-25)30-26-31-24(28(4,5)6)23(33-26)19-13-8-7-9-14-19/h7-18H,1-6H3,(H,30,31)
PubChem CID	59128997
ChEMBL	CHEMBL2401799
IUPHAR	N/A
BindingDB	50436917
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	31.0 nM	PMID23743287, PMID23769642	BindingDB,ChEMBL

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