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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

NameCHEMBL323789
Molecular formulaC28H38N2O7S
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[2-methylpropyl(propylsulfonyl)amino]ethyl]pyrrolidine-3-carboxylic acid
Molecular weight546.679
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.9
SynonymsBDBM50061106
1-[2-[Isobutyl(propylsulfonyl)amino]ethyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxol-5-yl)pyrrolidine-3alpha-carboxylic acid
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[isobutyl-(propane-1-sulfonyl)-amino]-ethyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyBREMXOULYOZQBW-MVNQZMKCSA-N
Inchi IDInChI=1S/C28H38N2O7S/c1-5-14-38(33,34)30(16-19(2)3)13-12-29-17-23(21-8-11-24-25(15-21)37-18-36-24)26(28(31)32)27(29)20-6-9-22(35-4)10-7-20/h6-11,15,19,23,26-27H,5,12-14,16-18H2,1-4H3,(H,31,32)/t23-,26-,27+/m1/s1
PubChem CID10230835
ChEMBLCHEMBL323789
IUPHARN/A
BindingDB50061106
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC508.1 nMPMID9379441BindingDB,ChEMBL

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