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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	P2Y purinoceptor 1
Species	Meleagris gallopavo (Wild turkey)
Gene	P2RY1
Synonym	6H1 orphan receptor ADP receptor P2Y1 Purinergic receptor
Disease	N/A for non-human GPCRs
Length	362
Amino acid sequence	MTEALISAALNGTQPELLAGGWAAGNASTKCSLTKTGFQFYYLPTVYILVFITGFLGNSVAIWMFVFHMRPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDVMCKLQRFIFHVNLYGSILFLTCISVHRYTGVVHPLKSLGRLKKKNAVYVSSLVWALVVAVIAPILFYSGTGVRRNKTITCYDTTADEYLRSYFVYSMCTTVFMFCIPFIVILGCYGLIVKALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYLPFHVMKTLNLRARLDFQTPQMCAFNDKVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKSSRRSEPNVQSKSEEMTLNILTEYKQNGDTSL
UniProt	P49652
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5720
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL129841
Molecular formula	C11H17N5O9P2
IUPAC name	[(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight	425.231
Hydrogen bond acceptor	13
Hydrogen bond donor	5
XlogP	-2.9
Synonyms	CHEMBL1096400 MRS 2179 ammonium salt diammonium (2R,3S,5R)-2-[(hydrogen phosphonatooxy)methyl]-5-[6-(methylamino)-9H-purin-9-yl]oxolan-3-yl hydrogen phosphate ZINC3985980 BDBM50118229 MolPort-044-562-030 n6-methyl-2'-deoxyadenosine-3',5'-bisphosphate J-000339 [(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate BDBM50318029 MRS 2179 101204-49-3 SCHEMBL134008 AC1NSKEB Lopac0_000756 [ Show all ]
Inchi Key	CCPLITQNIFLYQB-XLPZGREQSA-N
Inchi ID	InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
PubChem CID	5311303
ChEMBL	CHEMBL129841
IUPHAR	N/A
BindingDB	50118229, 50318029
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
EC50	330.0 nM	PMID12213051	BindingDB,ChEMBL
IC50	330.0 nM	PMID9457242	BindingDB,ChEMBL
IC50	331.0 nM	PMID10229631, PMID10715151	BindingDB,ChEMBL
Inhibition	99.0 %	PMID10229631	ChEMBL
Max inhibition	99.0 %	PMID9457242, PMID10715151	ChEMBL

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