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GPCR

NameP2Y purinoceptor 13
SpeciesHomo sapiens (Human)
GeneP2RY13
SynonymP2Y13
G-protein coupled receptor 86
purinergic receptor P2Y, G-protein coupled 13
G-protein coupled receptor 94
GPR94
[ Show all ]
DiseaseN/A
Length354
Amino acid sequenceMTAAIRRQRELSILPKVTLEAMNTTVMQGFNRSERCPRDTRIVQLVFPALYTVVFLTGILLNTLALWVFVHIPSSSTFIIYLKNTLVADLIMTLMLPFKILSDSHLAPWQLRAFVCRFSSVIFYETMYVGIVLLGLIAFDRFLKIIRPLRNIFLKKPVFAKTVSIFIWFFLFFISLPNTILSNKEATPSSVKKCASLKGPLGLKWHQMVNNICQFIFWTVFILMLVFYVVIAKKVYDSYRKSKSKDRKNNKKLEGKVFVVVAVFFVCFAPFHFARVPYTHSQTNNKTDCRLQNQLFIAKETTLFLAATNICMDPLIYIFLCKKFTEKLPCMQGRKTTASSQENHSSQTDNITLG
UniProtQ9BPV8
Protein Data BankN/A
GPCR-HGmod modelQ9BPV8
3D structure modelThis predicted structure model is from GPCR-EXP Q9BPV8.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHAR329
DrugBankN/A

Ligand

Name2-Mesatp
Molecular formulaC11H18N5O13P3S
IUPAC name[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight553.268
Hydrogen bond acceptor18
Hydrogen bond donor7
XlogP-4.9
Synonyms2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
2-(methylthio) adenosine 5'-triphosphate
2-(Methylthio)-Adenosinetriphosphate
2-(methylthio)adenosine 5'-(tetrahydrogen triphosphate)
2-(METHYLTHIO)ADENOSINE-5'-TRIPHOSPHATE
[ Show all ]
Inchi KeyXNOBOKJVOTYSJV-KQYNXXCUSA-N
Inchi IDInChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID5310983
ChEMBLCHEMBL336208
IUPHAR1711
BindingDB50118232
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.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5019.9526 nMPMID12815166IUPHAR

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