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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

Name8-carboxy-iso-iantheran A
Molecular formulaC33H16Br4Na2O14S2
IUPAC namedisodium;[(1Z,3Z)-1-[7-bromo-2-(3-bromo-4-hydroxyphenyl)-1-benzofuran-5-yl]-4-[7-bromo-2-(3-bromo-4-hydroxyphenyl)-3-carboxy-1-benzofuran-5-yl]-3-sulfonatooxybuta-1,3-dien-2-yl] sulfate
Molecular weight1066.19
Hydrogen bond acceptor14
Hydrogen bond donor3
XlogPNone
SynonymsCHEMBL394381
Inchi KeyXKIJWXPLHXBRNA-GJMBIJSZSA-L
Inchi IDInChI=1S/C33H18Br4O14S2.2Na/c34-20-11-16(1-3-24(20)38)26-13-18-5-14(7-22(36)30(18)48-26)9-27(50-52(42,43)44)28(51-53(45,46)47)10-15-6-19-29(33(40)41)31(49-32(19)23(37)8-15)17-2-4-25(39)21(35)12-17;;/h1-13,38-39H,(H,40,41)(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2/b27-9-,28-10-;;
PubChem CID23656757
ChEMBLCHEMBL394381
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
Activity94.6 %PMID17941622ChEMBL
Activity113.9 %PMID17941622ChEMBL
EC50478.63 nMPMID17941622ChEMBL

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