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GPCR

NameP2Y purinoceptor 1
SpeciesHomo sapiens (Human)
GeneP2RY1
SynonymATP receptor
Purinergic receptor P2Y1
purinergic receptor P2Y
Purinergic receptor
platelet ADP receptor
[ Show all ]
DiseaseThrombosis
Length373
Amino acid sequenceMTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL
UniProtP47900
Protein Data Bank4xnv, 4xnw
GPCR-HGmod modelP47900
3D structure modelThis structure is from PDB ID 4xnv.
BioLiPBL0311594,BL0311596, BL0311593, BL0311590,BL0311591,BL0311592, BL0311589, BL0311588, BL0311595,BL0311597
Therapeutic Target DatabaseT67818
ChEMBLCHEMBL4315
IUPHAR323
DrugBankN/A

Ligand

Name2-MeSADP
Molecular formulaC11H17N5O10P2S
IUPAC name[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight473.29
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-3.8
Synonyms[3H]2MeSADP
((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
Adenosine 5'-(trihydrogen diphosphate), 2-(methylthio)-
GTPL1710
2MeSADP
[ Show all ]
Inchi KeyWLMZTKAZJUWXCB-KQYNXXCUSA-N
Inchi IDInChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID121990
ChEMBLCHEMBL435402
IUPHAR1763, 1710
BindingDB50118242
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID15481977BindingDB,ChEMBL
EC50<100000.0 nMPMID15481977BindingDB,ChEMBL
EC501.27 nMPMID15481977ChEMBL
EC501.3 nMPMID15481977BindingDB
EC501.58 nMPMID15481977ChEMBL
EC501.6 nMPMID15481977BindingDB
EC501.88 nMPMID9554879ChEMBL
EC501.9 nMPMID9554879BindingDB
EC501.94 nMPMID9554879ChEMBL
EC502.2 nMPMID15481977BindingDB,ChEMBL
EC502.45 nMPMID9554879ChEMBL
EC502.5 nMPMID9554879, PMID20175517, PMID15481977BindingDB,ChEMBL
EC502.6 nMPMID15481977BindingDB,ChEMBL
EC503.0 nMPMID15481977BindingDB
EC503.0 nMPMID15481977ChEMBL
EC503.2 nMPMID15481977BindingDB,ChEMBL
EC503.6 nMPMID15481977BindingDB,ChEMBL
EC503.9 nMPMID15481977BindingDB,ChEMBL
EC504.7 nMPMID15481977BindingDB,ChEMBL
EC504.9 nMPMID15481977BindingDB,ChEMBL
EC505.9 nMPMID15481977BindingDB,ChEMBL
EC506.0 nMPMID15481977BindingDB
EC506.0 nMPMID15481977ChEMBL
EC506.4 nMPMID11985476BindingDB,ChEMBL
EC507.8 nMPMID15481977BindingDB,ChEMBL
EC508.6 nMPMID15481977BindingDB,ChEMBL
EC509.2 nMPMID15481977BindingDB,ChEMBL
EC509.8 nMPMID15481977BindingDB,ChEMBL
EC5010.0 nMPMID9554879BindingDB
EC5010.3 nMPMID20192270BindingDB,ChEMBL
EC5010.4 nMPMID9554879ChEMBL
EC5010.9 nMPMID9554879ChEMBL
EC5011.0 nMPMID9554879, PMID16539385, PMID15481977BindingDB,ChEMBL
EC5011.2 nMPMID15481977ChEMBL
EC5011.7 nMPMID15481977ChEMBL
EC5012.0 nMPMID9554879, PMID15481977BindingDB
EC5012.1 nMPMID9554879ChEMBL
EC5012.3 nMPMID17941622, PMID9554879ChEMBL
EC5012.4 nMPMID9554879ChEMBL
EC5012.6 nMPMID15481977ChEMBL
EC5012.9 nMPMID9554879ChEMBL
EC5013.0 nMPMID26447940, PMID9554879, PMID23751098, PMID15481977BindingDB,ChEMBL
EC5015.0 nMPMID15481977BindingDB,ChEMBL
EC5015.9 nMPMID15481977ChEMBL
EC5016.0 nMPMID15481977BindingDB,ChEMBL
EC5017.5 nMPMID15481977ChEMBL
EC5017.7 nMPMID9554879ChEMBL
EC5018.0 nMPMID9554879, PMID15481977BindingDB
EC5018.2 nMPMID15481977ChEMBL
EC5019.0 nMPMID9554879, PMID15481977BindingDB,ChEMBL
EC5019.2 nMPMID9554879ChEMBL
EC5019.5 nMPMID9554879ChEMBL
EC5020.0 nMPMID9554879BindingDB
EC5020.7 nMPMID15481977ChEMBL
EC5021.0 nMPMID15481977BindingDB
EC5025.0 nMPMID9554879BindingDB,ChEMBL
EC5027.0 nMPMID9554879BindingDB,ChEMBL
EC5030.9 nMPMID9554879ChEMBL
EC5031.0 nMPMID9554879BindingDB
EC5036.0 nMPMID9554879BindingDB,ChEMBL
EC5053.0 nMPMID9554879BindingDB,ChEMBL
EC5066.5 nMPMID15481977ChEMBL
EC5067.0 nMPMID15481977BindingDB
EC5074.9 nMPMID15481977ChEMBL
EC5075.0 nMPMID15481977BindingDB
EC50100.0 nMPMID15481977BindingDB,ChEMBL
EC50103.0 nMPMID9554879BindingDB,ChEMBL
EC50115.0 nMPMID9554879BindingDB,ChEMBL
EC50145.0 nMPMID15481977BindingDB,ChEMBL
EC50323.0 nMPMID9554879BindingDB,ChEMBL
EC50324.0 nMPMID9554879BindingDB,ChEMBL
EC50378.0 nMPMID9554879BindingDB,ChEMBL
EC50418.0 nMPMID15481977BindingDB,ChEMBL
EC50455.0 nMPMID15481977BindingDB,ChEMBL
EC50595.0 nMPMID15481977BindingDB,ChEMBL
EC50738.0 nMPMID9554879BindingDB,ChEMBL
EC501520.0 nMPMID9554879BindingDB,ChEMBL
EC501580.0 nMPMID9554879BindingDB,ChEMBL
EC501790.0 nMPMID15481977BindingDB,ChEMBL
EC502270.0 nMPMID9554879BindingDB,ChEMBL
EC505160.0 nMPMID15481977BindingDB,ChEMBL
EC505290.0 nMPMID15481977BindingDB,ChEMBL
EC5014800.0 nMPMID15481977BindingDB,ChEMBL
EC5017200.0 nMPMID15481977BindingDB,ChEMBL
IC50<10000.0 nMPMID15481977BindingDB,ChEMBL
IC5022.0 nMPMID15481977BindingDB,ChEMBL
IC5024.0 nMPMID15481977BindingDB,ChEMBL
IC5040.0 nMPMID15481977BindingDB,ChEMBL
IC50100.0 - 3981.07 nMPMID9154346, PMID12391289IUPHAR
IC50150.0 nMPMID15481977BindingDB,ChEMBL
IC50260.0 nMPMID15481977BindingDB,ChEMBL
IC50360.0 nMPMID15481977BindingDB,ChEMBL
Kd49.0 nMPMID11502873IUPHAR

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