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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

NameCHEMBL3798571
Molecular formulaC18H20N2
IUPAC name(4aR,5S,10bS)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine
Molecular weight264.372
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.4
SynonymsN/A
Inchi KeyQYMGXJPKXKHXDF-CGTJXYLNSA-N
Inchi IDInChI=1S/C18H20N2/c1-2-7-13(8-3-1)17-15-10-6-12-19-18(15)14-9-4-5-11-16(14)20-17/h1-5,7-9,11,15,17-20H,6,10,12H2/t15-,17+,18+/m0/s1
PubChem CID127046784
ChEMBLCHEMBL3798571
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Efficacy>25.0 %MedChemComm, (2016) 7:3:439ChEMBL

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