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GPCR

NameEndothelin-1 receptor
SpeciesMus musculus (Mouse)
GeneEdnra
SynonymETA receptor
ET-AR
ET-A
endothelin-1 receptor
Endothelin receptor type A {ECO:0000312|MGI:MGI:105923}
[ Show all ]
DiseaseN/A for non-human GPCRs
Length427
Amino acid sequenceMSIFCLAAYFWLTMVGGVMADNPERYSANLSSHMEDFTPFPGTEINFLGTTHRPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGELHRTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNNHNTERSSHKDSMN
UniProtQ61614
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2286
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL594482
Molecular formulaC29H27FO9
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[[3-(2-fluoroethoxy)-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight538.524
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.3
Synonyms3-Benzo[1,3]dioxol-5-yl-4-[3-(2-fluoroethoxy)-4,5-dimethoxybenzyl]-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
BDBM50304496
Inchi KeyLJYBPMRPPBTBRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H27FO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3
PubChem CID45257114
ChEMBLCHEMBL594482
IUPHARN/A
BindingDB50304496
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.09 nMPMID19766010BindingDB,ChEMBL
Ki1.1 nMPMID21275367BindingDB,ChEMBL

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