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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

NameCI 1020
Molecular formulaC28H26O9
IUPAC name3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one
Molecular weight506.507
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.0
Synonyms162256-50-0
CHEMBL8981
PD 156707
3-(1,3-BENZODIOXOL-5-YL)-5-HYDROXY-5-(4-METHOXYPHENYL)-4-[(3,4,5-TRIMETHOXYPHENYL)METHYL]-2(5H)-FURANONE
3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one
[ Show all ]
Inchi KeyPWIPORDFWDZCJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
PubChem CID9870830
ChEMBLCHEMBL8981
IUPHARN/A
BindingDB50034267
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50780.0 nMPMID19766010BindingDB,ChEMBL

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