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GPCR

NameEndothelin-1 receptor
SpeciesRattus norvegicus (Rat)
GeneEdnra
Synonymendothelin A receptor
Endothelin receptor type A {ECO:0000312|RGD:2535}
ENDOR
endothelin-1 receptor
ET-A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length426
Amino acid sequenceMGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
UniProtP26684
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4566
IUPHAR219
DrugBankN/A

Ligand

NameCHEMBL173431
Molecular formulaC22H18N2O4
IUPAC name2-[2-cyano-5-(pyridin-2-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetic acid
Molecular weight374.396
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50085857
[2-Cyano-5-(pyridin-2-ylmethoxy)-phenoxy]-o-tolyl-acetic acid
Inchi KeyBRQHOFBHPKKIHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18N2O4/c1-15-6-2-3-8-19(15)21(22(25)26)28-20-12-18(10-9-16(20)13-23)27-14-17-7-4-5-11-24-17/h2-12,21H,14H2,1H3,(H,25,26)
PubChem CID10667115
ChEMBLCHEMBL173431
IUPHARN/A
BindingDB50085857
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<3000.0 nMPMID10715156BindingDB,ChEMBL

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