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GPCR

NameEndothelin receptor type B
SpeciesRattus norvegicus (Rat)
GeneEdnrb
SynonymHSCR
ETB receptor
ET-BR
ET-B
Endothelin receptor non-selective type
[ Show all ]
DiseaseN/A for non-human GPCRs
Length442
Amino acid sequenceMQSSASRCGRALVALLLACGLLGVWGEKRGFPPAQATPSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRVAGVPPRSFPPPCQRKIEINKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINAYKLLAGDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDVITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAIFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPQRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP21451
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4631
IUPHAR220
DrugBankN/A

Ligand

NameCHEMBL93097
Molecular formulaC26H23NO6
IUPAC name(4R)-4-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-4-(2-methylphenyl)butanoic acid
Molecular weight445.471
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
Synonyms(R)-4-[2-Cyano-5-(1,3-benzodioxole-5-ylmethoxy)phenoxy]-4-(2-methylphenyl)butyric acid
BDBM50065522
(R)-4-[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-4-o-tolyl-butyric acid
Inchi KeyFYSOOPQBBYQVJU-JOCHJYFZSA-N
Inchi IDInChI=1S/C26H23NO6/c1-17-4-2-3-5-21(17)22(10-11-26(28)29)33-24-13-20(8-7-19(24)14-27)30-15-18-6-9-23-25(12-18)32-16-31-23/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,28,29)/t22-/m1/s1
PubChem CID10599453
ChEMBLCHEMBL93097
IUPHARN/A
BindingDB50065522
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010000.0 nMPMID9667964BindingDB,ChEMBL

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