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GPCR

NameG-protein coupled estrogen receptor 1
SpeciesHomo sapiens (Human)
GeneGPER1
SynonymChemoattractant receptor-like 2
Gpr41
IL8-related receptor DRY12
LERGU
LERGU2
[ Show all ]
DiseaseN/A
Length375
Amino acid sequenceMDVTSQARGVGLEMYPGTAQPAAPNTTSPELNLSHPLLGTALANGTGELSEHQQYVIGLFLSCLYTIFLFPIGFVGNILILVVNISFREKMTIPDLYFINLAVADLILVADSLIEVFNLHERYYDIAVLCTFMSLFLQVNMYSSVFFLTWMSFDRYIALARAMRCSLFRTKHHARLSCGLIWMASVSATLVPFTAVHLQHTDEACFCFADVREVQWLEVTLGFIVPFAIIGLCYSLIVRVLVRAHRHRGLRPRRQKALRMILAVVLVFFVCWLPENVFISVHLLQRTQPGAAPCKQSFRHAHPLTGHIVNLAAFSNSCLNPLIYSFLGETFRDKLRLYIEQKTNLPALNRFCHAALKAVIPDSTEQSDVRFSSAV
UniProtQ99527
Protein Data BankN/A
GPCR-HGmod modelQ99527
3D structure modelThis predicted structure model is from GPCR-EXP Q99527.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5872
IUPHAR221
DrugBankBE0003446

Ligand

Nameestradiol
Molecular formulaC18H24O2
IUPAC name(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular weight272.388
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.0
SynonymsExtrasorb
NCGC00091544-13
Follicyclin
NCGC00261188-01
Gynodiol
[ Show all ]
Inchi KeyVOXZDWNPVJITMN-ZBRFXRBCSA-N
Inchi IDInChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PubChem CID5757
ChEMBLCHEMBL135
IUPHAR1013, 1012
BindingDB17292
DrugBankDB00783

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity3.0 %PMID20041667ChEMBL
Activity>10.0 %PMID20041667ChEMBL
Activity80.0 %PMID20041667ChEMBL
Activity100.0 %PMID20041667ChEMBL
EC500.3 nMPMID23672690BindingDB
EC500.3 nMPMID16520733, PMID23672690BindingDB,ChEMBL
Efficacy75.0 %MedChemComm, (2016) 7:3:439ChEMBL
Kd2.7 - 3.3 nMPMID15539556IUPHAR
Ki2.7 nMMedChemComm, (2016) 7:3:439ChEMBL
Ki3.16228 - 6.30957 nMPMID15705806, PMID15539556IUPHAR
Ki5.7 nMPMID16520733, PMID23672690BindingDB,ChEMBL
Ki9.0 nMPMID17655271BindingDB
T1/2>0.0005556 hrPMID16520733ChEMBL

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