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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

NameCHEMBL174229
Molecular formulaC20H15NO4S
IUPAC name2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-phenylacetic acid
Molecular weight365.403
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsAXRWHVQKSIEFTF-UHFFFAOYSA-N
(RS)-[2-Cyano-5-(3-thienylmethoxy)phenoxy]phenylacetic acid
BDBM50085852
SCHEMBL8119563
[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-phenyl-acetic acid
[ Show all ]
Inchi KeyAXRWHVQKSIEFTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15NO4S/c21-11-16-6-7-17(24-12-14-8-9-26-13-14)10-18(16)25-19(20(22)23)15-4-2-1-3-5-15/h1-10,13,19H,12H2,(H,22,23)
PubChem CID9863916
ChEMBLCHEMBL174229
IUPHARN/A
BindingDB50085852
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5070.0 nMPMID10715156BindingDB,ChEMBL

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