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GPCR

NameP2Y purinoceptor 11
SpeciesHomo sapiens (Human)
GeneP2RY11
SynonymP2Y11 receptor
purinergic receptor P2Y, G-protein coupled, 11
P2Y11
DiseaseN/A
Length374
Amino acid sequenceMAANVSGAKSCPANFLAAADDKLSGFQGDFLWPILVVEFLVAVASNGLALYRFSIRKQRPWHPAVVFSVQLAVSDLLCALTLPPLAAYLYPPKHWRYGEAACRLERFLFTCNLLGSVIFITCISLNRYLGIVHPFFARSHLRPKHAWAVSAAGWVLAALLAMPTLSFSHLKRPQQGAGNCSVARPEACIKCLGTADHGLAAYRAYSLVLAGLGCGLPLLLTLAAYGALGRAVLRSPGMTVAEKLRVAALVASGVALYASSYVPYHIMRVLNVDARRRWSTRCPSFADIAQATAALELGPYVGYQVMRGLMPLAFCVHPLLYMAAVPSLGCCCRHCPGYRDSWNPEDAKSTGQALPLNATAAPKPSEPQSRELSQ
UniProtQ96G91
Protein Data BankN/A
GPCR-HGmod modelQ96G91
3D structure modelThis predicted structure model is from GPCR-EXP Q96G91.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4867
IUPHAR327
DrugBankBE0005499

Ligand

NameNF-058
Molecular formulaC37H24N4Na6O21S6
IUPAC namehexasodium;N-(4,8-disulfo-6-sulfonatonaphthalen-1-yl)-4-methyl-3-[[N-[2-methyl-5-[C-oxido-N-(8-sulfo-4,6-disulfonatonaphthalen-1-yl)carbonimidoyl]phenyl]-C-oxidocarbonimidoyl]amino]benzenecarboximidate
Molecular weight1190.91
Hydrogen bond acceptor24
Hydrogen bond donor4
XlogPNone
Synonyms104869-32-1
Inchi KeyPKIBZPJHFBDBAY-UHFFFAOYSA-H
Inchi IDInChI=1S/C37H30N4O21S6.6Na/c1-17-3-5-19(35(42)38-25-7-9-29(65(51,52)53)23-13-21(63(45,46)47)15-31(33(23)25)67(57,58)59)11-27(17)40-37(44)41-28-12-20(6-4-18(28)2)36(43)39-26-8-10-30(66(54,55)56)24-14-22(64(48,49)50)16-32(34(24)26)68(60,61)62;;;;;;/h3-16H,1-2H3,(H,38,42)(H,39,43)(H2,40,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6
PubChem CID136880425
ChEMBLCHEMBL411554
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
Inhibition86.6 %PMID16250663ChEMBL
Ki7585.78 nMPMID16250663ChEMBL
Rel potency0.6 -PMID16250663ChEMBL

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