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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	Adenosine 5'-diphosphate
Molecular formula	C10H15N5O10P2
IUPAC name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight	427.203
Hydrogen bond acceptor	14
Hydrogen bond donor	6
XlogP	-4.6
Synonyms	5'-Adenylphosphoric acid SCHEMBL18076199 9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-b-D-glycero-pentofuranosyl}-9H-purin-6-amine [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid Adenosine 5 inverted exclamation mark -diphosphate Adenosine 5'-diphosphoric acid Adenosine, 5'-(trihydrogen diphosphate) Ado-5'-P-P BDBM31995 CHEBI:16761 1e8h Epitope ID:137351 1xxi J-700143 MFCD00066473 58-64-0 UNII-61D2G4IYVH 9H-purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-glycero-pentofuranosyl]- Adenosine 5'-(trihydrogen diphosphate) Adenosine diphosphate adenosine-5'-diphosphate ADP.H2 bmse000935 (S)-1-C-(7-Amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 5-(trihydrogen diphosphate) CS-W011634 1m74 FT-0621907 20398-34-9 PDSP1_001088 84412-16-8 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate AC1Q1ID4 Adenosine diphosphoric acid adenosine-diphosphate AKOS022179933 C00008 1amw DB-022410 1t3t H3adp KB-200370 5'-Adp SCHEMBL24103 905904-58-7 adenosine 5 inverted exclamation marka-diphosphate adenosine 5'-pyrophosphate ADENOSINE, 5'-(TRIHYDROGEN PYROPHOSPHATE) ADP BDBM50368125 1hi5 Formycin diphosphate 1y8o MolPort-003-925-185 58A640 XTWYTFMLZFPYCI-KQYNXXCUSA-N a-ADP Adenosine 5'-(trihydrogen diphosphate) (9CI) Adenosine diphosphate (6CI) Adenosine-5'-diphosphate, MonodiuM salt AJ-61691 bmse000991 CTK5F2281 1o0h GN9482 2bfr 4-26-00-03629 (Beilstein Handbook Reference) PDSP2_001072 896506-82-4 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Adenosindiphosphorsaeure Adenosine 5'-diphosphate, >=95% (HPLC) adenosine pyrophosphate Adenosine5'-diphosphate AS-11755 C10H15N5O10P2 1ao0 EINECS 200-392-5 1ucn HY-W010918 LS-15185 ST24045919 9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-.beta.-D-ribofuranosyl]- adenosine 5' diphosphate Adenosine 5'-pyrophosphoric acid Adenosine-5'-diphosphat ADP (nucleotide) bmse000004 ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate CHEMBL14830 1lkx FT-0082295 1yrs NCGC00163322-01 61D2G4IYVH ZINC12360703 AC1L1LMR Adenosine 5'-(trihydrogen pyrophosphate) (8CI) Adenosine Diphosphate (ADP) adenosine-5-diphosphate AK-54732 BRN 0067722 18389-49-6 D05NWF 1oz4 GTPL1712 2c02 [ Show all ]
Inchi Key	XTWYTFMLZFPYCI-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PubChem CID	6022
ChEMBL	CHEMBL14830
IUPHAR	1712
BindingDB	31995, 50368125
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
Ki	1258.93 nM	PMID15199474	IUPHAR

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