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GPCR

NameP2Y purinoceptor 2
SpeciesHomo sapiens (Human)
GeneP2RY2
SynonymPurinergic receptor
purinergic receptor P2Y
P2Y2 receptor
P2Y2
P2Y purinoceptor 2
[ Show all ]
DiseaseDry eye disease
Constipation
Cystic fibrosis
Lung cancer
Length377
Amino acid sequenceMAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
UniProtP41231
Protein Data BankN/A
GPCR-HGmod modelP41231
3D structure modelThis predicted structure model is from GPCR-EXP P41231.
BioLiPN/A
Therapeutic Target DatabaseT93515
ChEMBLCHEMBL4398
IUPHAR324
DrugBankBE0002401

Ligand

NameCHEMBL1162181
Molecular formulaC34H40N6O25P4
IUPAC name[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[[[[(2S,3S,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-[2-(methylamino)benzoyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] 2-(methylamino)benzoate
Molecular weight1056.61
Hydrogen bond acceptor27
Hydrogen bond donor10
XlogP-3.6
SynonymsBDBM50371571
Inchi KeyFVKWBYGJUWZEJD-QGFWSTCBSA-N
Inchi IDInChI=1S/C34H40N6O25P4/c1-35-19-9-5-3-7-17(19)31(45)61-27-22(60-29(26(27)44)39-13-11-23(41)37-33(39)47)16-58-67(51,52)64-69(55,56)65-68(53,54)63-66(49,50)57-15-21-25(43)28(30(59-21)40-14-12-24(42)38-34(40)48)62-32(46)18-8-4-6-10-20(18)36-2/h3-14,21-22,25-30,35-36,43-44H,15-16H2,1-2H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,41,47)(H,38,42,48)/t21-,22+,25-,26+,27+,28-,29+,30-/m0/s1
PubChem CID44457338
ChEMBLCHEMBL1162181
IUPHARN/A
BindingDB50371571
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
EC505470.0 nMPMID18232657BindingDB,ChEMBL

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