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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

NameCHEMBL1672886
Molecular formulaC38H42FN3O12
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[[3-[2-[2-[2-[2-[4-(fluoromethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight751.761
Hydrogen bond acceptor15
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50336700
3-Benzo[1,3]dioxol-5-yl-4-{3-[2-(2-{2-[2-(4-fluoromethyl-1,2,3-triazol-1-yl)ethoxy]ethoxy}ethoxy)ethoxy]-4,5-dimethoxybenzyl}-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
Inchi KeyUQCVUHNJNDRVBK-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H42FN3O12/c1-45-29-7-5-27(6-8-29)38(44)30(35(37(43)54-38)26-4-9-31-32(21-26)53-24-52-31)18-25-19-33(46-2)36(47-3)34(20-25)51-17-16-50-15-14-49-13-12-48-11-10-42-23-28(22-39)40-41-42/h4-9,19-21,23,44H,10-18,22,24H2,1-3H3
PubChem CID51002602
ChEMBLCHEMBL1672886
IUPHARN/A
BindingDB50336700
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.

Experimental Data

ParameterValueReferenceDatabase source
Ki7.9 nMPMID21275367BindingDB,ChEMBL

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