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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

NameCHEMBL173054
Molecular formulaC25H23NO4
IUPAC name2-[2-cyano-5-[(2,6-dimethylphenyl)methoxy]phenoxy]-2-(2-methylphenyl)acetic acid
Molecular weight401.462
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50085846
[2-Cyano-5-(2,6-dimethyl-benzyloxy)-phenoxy]-o-tolyl-acetic acid
Inchi KeyAUVIGAAEGZUWRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23NO4/c1-16-7-4-5-10-21(16)24(25(27)28)30-23-13-20(12-11-19(23)14-26)29-15-22-17(2)8-6-9-18(22)3/h4-13,24H,15H2,1-3H3,(H,27,28)
PubChem CID10763577
ChEMBLCHEMBL173054
IUPHARN/A
BindingDB50085846
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50857.0 nMPMID10715156BindingDB,ChEMBL

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