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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

NameCHEMBL583543
Molecular formulaC19H16BrNO2
IUPAC name(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Molecular weight370.246
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.9
Synonyms(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
BN0832
MolPort-019-939-285
cid_3136844
AC1OLQ32
[ Show all ]
Inchi KeyYOLTZIVRJAPVPH-MJLGCCKJSA-N
Inchi IDInChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1
PubChem CID7433743
ChEMBLCHEMBL583543
IUPHAR3320
BindingDB50303804
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5020.0 nMPMID20041667BindingDB,ChEMBL
IC50185.0 nMPMID19430488BindingDB,ChEMBL
IC50199.0 nMPMID19430488IUPHAR

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