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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	Poly(2'-methylthioadenylic acid)
Molecular formula	C11H16N5O7PS
IUPAC name	[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular weight	393.311
Hydrogen bond acceptor	12
Hydrogen bond donor	5
XlogP	-2.7
Synonyms	22140-20-1 BDBM50367099 J-014548 2-MeS-5'-AMP 5'-Adenylic acid,2-(methylthio)-, homopolymer (9CI) CHEMBL609484 W-201920 2-Methylthio-AMP Triethylammonium salt hydrate AC1Q6RW5 DTXSID70221068 2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate) 2MeSAMP ZINC13473522 2-MeSAMP 70804-88-5 CTK5D3017 ((2R,3S,4R,5R)-5-(6-Amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate 2-Methylthioadenosine 5-monophosphate AKOS030566891 GTPL1764 2-(Methylthio)adenosine 5'-phosphoric acid 5'-Adenylic acid, 2-(methylthio)-, homopolymer CHEMBL606240 SCHEMBL2527383 [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 2-methylthio-AMP AC1L4P8U D01GRB [ Show all ]
Inchi Key	XVTFTCNRRAQHEQ-KQYNXXCUSA-N
Inchi ID	InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID	189762
ChEMBL	CHEMBL606240
IUPHAR	1764
BindingDB	N/A
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
IC50	3981.07 nM	PMID11502873	IUPHAR

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