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GLASS

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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	Adenosine triphosphate
Molecular formula	C10H16N5O13P3
IUPAC name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight	507.181
Hydrogen bond acceptor	17
Hydrogen bond donor	7
XlogP	-5.7
Synonyms	1gz3 C-22981 1t44 CHEMBL14249 2fgh DB00171 71800-44-7 FT-0621909 A9788C43-4BC5-46E2-8560-41C5FA7D3AA3 NCGC00163309-01 Adenosine 5'-triphosphate (intravenous, arrhythmia), Cordex Triphosaden Adenosine, 5'-(tetrahydrogen triphosphate) ZKHQWZAMYRWXGA-KQYNXXCUSA-N Adetol AS-19204 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid BDBM2 Bio1_000895 1m83 Cardenosine 1xsc D02LMZ 5'-(tetrahydrogen triphosphate) Adenosine DSSTox_RID_76629 8L70Q75FXE H4atp Adenosine 5 inverted exclamation marka-triphosphate (ATP) disodium salt hydrate SCHEMBL8979 Adenosine 5'-triphosphate (intravenous, paroxysmal supraventricular tachycardia (PSVT)), Duska Triphosphoric acid adenosine ester adenosine-triphosphate [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid AJ-70571 ATP (nucleotide) 1259312-93-0 1b38 bmse000854 1r0x CHEBI:15422 DB-022415 51569-41-6 Epitope ID:135612 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl] MolPort-002-533-479 Adenosine 5'-triphosphate Tox21_112044 Adenosine 5'-triphosphoric acid X5319 Adenylpyrophosphoric acid AN-41693 ATPase 1gz4 C00002 1vjc CS-7674 34369-07-8 DSSTox_CID_2559 84412-18-0 Glucobasin AC1L1LHX Phosphobion Adenosine 5'-triphosphate (intravenous, arrhythmia), Duska Triphosadenine (DCF) adenosine-5'-triphosphate [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate Ado-5'-P-P-P Atipi 065A467 BDBM50366480 Bio1_001384 1mau CAS-56-65-5 1y8p D08646 5'-Atp DTXSID6022559 9-beta-D-Arabinofuranosyladenine 5'-triphosphate HY-B2176 adenosine 5' triphosphate ST24045923 Adenosine 5'-triphosphate; Triphosphaden UNII-8L70Q75FXE Adenosintriphosphorsaeure AK-54737 ATP disodium hydrate 16488-07-6 1b39 bmse000993 1r10 2cbz 56-65-5 Fosfobion 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-ribofuranosyl]- Myotriphos Adenosine 5'-triphosphate (intravenous, arrhythmia) Triadenyl ZINC4261765 Adephos Ara-ATP ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate Atriphos Bio1_000406 1kxp C10H16N5O13P3 1vjd CTK3J3236 3h-adenosine triphosphate DSSTox_GSID_22559 896506-78-8 GTPL1713 ACT02649 RT-001349 Adenosine 5'-triphosphate (intravenous, bradycardia-induced syncopy (fainting)), Duska Triphosphaden adenosine-5'-triphosphoric acid [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Adynol ATP 10168-83-9 bmse000006 1maw CC-23792 1yid D0O6QI EINECS 200-283-2 917074-14-7 LS-15176 Adenosine 5'-(tetrahydrogen triphosphate) Striadyne Adenosine 5'-triphosphorate W-105506 Adenylpyrophosphorate AKOS022179934 ATPace [ Show all ]
Inchi Key	ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PubChem CID	5957
ChEMBL	CHEMBL14249
IUPHAR	1713
BindingDB	2, 50366480
DrugBank	DB00171
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	251189.0 nM	PMID27133596	ChEMBL
IC50	251189.0 nM	PMID27133596	BindingDB
Inhibition	63.0 %	PMID18232657	ChEMBL

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