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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

NameCHEMBL3144602
Molecular formulaC20H15F3N2O5
IUPAC name2,4-bis(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Molecular weight420.344
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.9
Synonyms2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromethyl-2H-pyrazol-3-ol
CHEMBL29956
1,4-Bis(1,3-benzodioxole-5-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-ol
BDBM50089727
Inchi KeyGSYUSCVEJUNUJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2
PubChem CID15340616
ChEMBLCHEMBL3144602
IUPHARN/A
BindingDB50089727
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5017000.0 nMPMID10890162BindingDB,ChEMBL

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