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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

NameCHEMBL266143
Molecular formulaC26H26N2O5
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
Molecular weight446.503
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.3
Synonyms(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-(2-pyridin-2-yl-ethyl)-pyrrolidine-3-carboxylic acid
BDBM50051017
1-[2-(2-Pyridinyl)ethyl]-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
Inchi KeyAPUCFGMBXSLHQL-GVXSCFBNSA-N
Inchi IDInChI=1S/C26H26N2O5/c1-31-20-8-5-17(6-9-20)25-24(26(29)30)21(18-7-10-22-23(14-18)33-16-32-22)15-28(25)13-11-19-4-2-3-12-27-19/h2-10,12,14,21,24-25H,11,13,15-16H2,1H3,(H,29,30)/t21-,24-,25+/m0/s1
PubChem CID10742024
ChEMBLCHEMBL266143
IUPHARN/A
BindingDB50051017
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50900.0 nMPMID8676339BindingDB,ChEMBL

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