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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	CHEMBL255724
Molecular formula	C31H34N4O2
IUPAC name	1-(4-cyclohexylphenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea
Molecular weight	494.639
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	8.0
Synonyms	D0W8WZ Pfizer compound 67 [PMID:18445527] GTPL5805 SCHEMBL4911203 Pfizer compound 67 1-(4-cyclohexylphenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea BDBM50373304 [ Show all ]
Inchi Key	BLOWXIFVYOKSMX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H34N4O2/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)37-29-16-10-8-14-27(29)33-31(36)32-26-19-17-25(18-20-26)24-12-5-4-6-13-24/h7-11,14-21,24H,3-6,12-13H2,1-2H3,(H2,32,33,36)
PubChem CID	24743975
ChEMBL	CHEMBL255724
IUPHAR	5805
BindingDB	50373304
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	10.0 nM	PMID18445527	BindingDB,IUPHAR,ChEMBL

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