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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameP2Y purinoceptor 1
SpeciesMeleagris gallopavo (Wild turkey)
GeneP2RY1
Synonym6H1 orphan receptor
ADP receptor
P2Y1
Purinergic receptor
DiseaseN/A for non-human GPCRs
Length362
Amino acid sequenceMTEALISAALNGTQPELLAGGWAAGNASTKCSLTKTGFQFYYLPTVYILVFITGFLGNSVAIWMFVFHMRPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDVMCKLQRFIFHVNLYGSILFLTCISVHRYTGVVHPLKSLGRLKKKNAVYVSSLVWALVVAVIAPILFYSGTGVRRNKTITCYDTTADEYLRSYFVYSMCTTVFMFCIPFIVILGCYGLIVKALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYLPFHVMKTLNLRARLDFQTPQMCAFNDKVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKSSRRSEPNVQSKSEEMTLNILTEYKQNGDTSL
UniProtP49652
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5720
IUPHARN/A
DrugBankN/A

Ligand

NameSCHEMBL375910
Molecular formulaC10H15N5O9P2
IUPAC name[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight411.204
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-3.1
Synonyms2'-Deoxyadenosine 3',5'-bisphosphoric acid
2'-deoxyadenosine-3',5'-diphosphate
CHEMBL1230817
Inchi KeyGOZKRKUVKAXOEP-RRKCRQDMSA-N
Inchi IDInChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
PubChem CID14252049
ChEMBLCHEMBL1230817
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC506260.0 nMPMID9457242ChEMBL
EC506290.0 nMPMID10229631ChEMBL
IC505760.0 nMPMID10229631, PMID9457242ChEMBL
Increase12.0 %PMID10229631, PMID10691699ChEMBL
Inhibition87.0 %PMID10229631ChEMBL
Max increase12.0 %PMID9457242ChEMBL
Max inhibition87.0 %PMID9457242ChEMBL

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