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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	Homo sapiens (Human)
Gene	P2RY12
Synonym	P2Y12 platelet ADP receptor P2Y12 receptor P2YADP purinergic receptor P2Y P2Y12 P2Y(cyc) P2Y(ADP) P2Y(AC) P2Y purinoceptor 12 P2T(AC) HORK3 ADPG-R ADP-glucose receptor SP1999 [ Show all ]
Disease	N/A
Length	342
Amino acid sequence	MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProt	Q9H244
Protein Data Bank	4py0, 4pxz, 4ntj
GPCR-HGmod model	Q9H244
3D structure model	This structure is from PDB ID 4py0.
BioLiP	BL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2001
IUPHAR	328
DrugBank	BE0000110

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	CHEMBL335206 5'-Adenylic acid, monoanhydride with phosphorothioic acid adenosine 5'-O-(2-thiodiphosphate) AT4 GTPL1755 5'-O-[(R)-Hydroxy(Thiophosphonooxy)phosphoryl]adenosine adenosine-5''-O-beta-thiodiphosphate ADP-beta-S C13743 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate 5''-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE 73536-95-5 (trilithium salt) AKOS015916558 D0V4GQ 5'-Adenylic acid, monoanhydride with phosphorothioic acid, trilithium salt adenosine 5'-O-(3-thio-diphosphate) BDBM50118230 I14-51603 35094-45-2 Adenosine-5'-O-(2-thiodiphosphate) ADP-gamma-S [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate 5'-Adenosine diphosphate beta-S AC1NSJSN AN-25175 EINECS 277-530-6 (32S)Adenosine 5'-O-(2-thiodiphosphate) 5'-Adps Adenosine 5-O-(3-thiodiphophate) beta-Thio-ADP SCHEMBL3096785 35094-45-2 (Parent) 73536-95-5 ADP beta S [ 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
IC50	2.51188 nM	PMID11502873	IUPHAR

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