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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 12
Species	Rattus norvegicus (Rat)
Gene	P2ry12
Synonym	purinergic receptor P2Y P2YADP P2Y12 receptor P2Y12 platelet ADP receptor P2Y12 P2Y purinoceptor 12 HORK3 SP1999 [ Show all ]
Disease	N/A for non-human GPCRs
Length	343
Amino acid sequence	MEVPGANATSANTTSIPGTSTLCSRDYKITQVLFPLLYTVLFFAGLITNSLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGAGHLRTLVCQVTSVTFYFTMYISISFLGLITIDRYLKTTRPFKTSSPSNLLGAKILSVAIWAFMFLLSLPNMILTNRRPKDKDITKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYSLITKELYRSYVRTRGSAKAPKKRVNIKVFIIIAVFFICFVPFHFARIPYTLSQTRAVFDCNAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLMSMLRCSTSGANKKKGQEGGDPSEETPM
UniProt	Q9EPX4
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	CHEMBL2188
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Adpbetas
Molecular formula	C10H15N5O9P2S
IUPAC name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
Molecular weight	443.264
Hydrogen bond acceptor	14
Hydrogen bond donor	6
XlogP	-2.9
Synonyms	5'-Adenylic acid, monoanhydride with phosphorothioic acid adenosine 5'-O-(2-thiodiphosphate) CHEMBL335206 5'-O-[(R)-Hydroxy(Thiophosphonooxy)phosphoryl]adenosine adenosine-5''-O-beta-thiodiphosphate AT4 GTPL1755 5''-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE 73536-95-5 (trilithium salt) ADP-beta-S C13743 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate 5'-Adenylic acid, monoanhydride with phosphorothioic acid, trilithium salt adenosine 5'-O-(3-thio-diphosphate) AKOS015916558 D0V4GQ 35094-45-2 Adenosine-5'-O-(2-thiodiphosphate) BDBM50118230 I14-51603 5'-Adenosine diphosphate beta-S AC1NSJSN ADP-gamma-S [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate (32S)Adenosine 5'-O-(2-thiodiphosphate) 5'-Adps Adenosine 5-O-(3-thiodiphophate) AN-25175 EINECS 277-530-6 35094-45-2 (Parent) 73536-95-5 ADP beta S beta-Thio-ADP SCHEMBL3096785 [ Show all ]
Inchi Key	HCIKUKNAJRJFOW-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
PubChem CID	5310996
ChEMBL	CHEMBL335206
IUPHAR	1755
BindingDB	50118230
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
EC50	82.0 nM	PMID12213051	BindingDB,ChEMBL

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