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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

NameCID 136908877
Molecular formulaC29H17ClN7Na3O11S3
IUPAC nametrisodium;1-amino-4-[4-[[6-chloro-4-(3-sulfonatophenyl)imino-1H-1,3,5-triazin-2-ylidene]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Molecular weight840.092
Hydrogen bond acceptor15
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyVZPXDCIISFTYOM-UHFFFAOYSA-K
Inchi IDInChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
PubChem CID136908877
ChEMBLCHEMBL223344
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID12213051ChEMBL
IC50<100000.0 nMPMID19419204ChEMBL
IC501000.0 nMPMID19419204ChEMBL
IC501050.0 nMPMID19419204ChEMBL
IC501570.0 nMPMID19419204ChEMBL
IC501620.0 nMPMID19419204ChEMBL
IC501850.0 nMPMID19419204, PMID18006312, PMID20146483, PMID21207957ChEMBL
IC509300.0 nMPMID19419204ChEMBL
IC5012000.0 nMPMID18630897ChEMBL
IC5018600.0 nMPMID19419204ChEMBL
Inhibition55.0 %PMID19419204ChEMBL
Ratio IC500.6 -PMID19419204ChEMBL
Ratio IC5010.0 -PMID19419204ChEMBL

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