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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

NameCHEMBL8925
Molecular formulaC28H36N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(dibutylcarbamoyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight496.604
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
Synonyms1-(Dibutylaminocarbonyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
BDBM50050977
Inchi KeyBJVKQDFBWZHLEG-UCGXPXSYSA-N
Inchi IDInChI=1S/C28H36N2O6/c1-4-6-14-29(15-7-5-2)28(33)30-17-22(20-10-13-23-24(16-20)36-18-35-23)25(27(31)32)26(30)19-8-11-21(34-3)12-9-19/h8-13,16,22,25-26H,4-7,14-15,17-18H2,1-3H3,(H,31,32)/t22-,25-,26+/m0/s1
PubChem CID10625083
ChEMBLCHEMBL8925
IUPHARN/A
BindingDB50050977
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50396.0 nMPMID8676339BindingDB,ChEMBL

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