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GPCR

NameEndothelin receptor type B
SpeciesMus musculus (Mouse)
GeneEdnrb
SynonymET-BR
ETB receptor
ET-B
endothelin B receptor
HSCR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length442
Amino acid sequenceMQSPASRCGRALVALLLACGFLGVWGEKRGFPPAQATLSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRGAGVPPRSFPPPCQRNIEISKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINTYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDMITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAVFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPHRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP48302
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1681617
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1672880
Molecular formulaC35H39FO12
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[[3-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight670.683
Hydrogen bond acceptor13
Hydrogen bond donor1
XlogP3.9
Synonyms3-Benzo[1,3]dioxol-5-yl-4-{3-(2-(2-(2-(2-fluoroethoxy)ethoxy)-ethoxy)ethoxy)-4,5-dimethoxybenzyl}-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
BDBM50336694
Inchi KeyNKOJYTIBYBSFJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H39FO12/c1-39-26-7-5-25(6-8-26)35(38)27(32(34(37)48-35)24-4-9-28-29(21-24)47-22-46-28)18-23-19-30(40-2)33(41-3)31(20-23)45-17-16-44-15-14-43-13-12-42-11-10-36/h4-9,19-21,38H,10-18,22H2,1-3H3
PubChem CID51003306
ChEMBLCHEMBL1672880
IUPHARN/A
BindingDB50336694
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
Ki418.0 nMPMID21275367BindingDB,ChEMBL

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