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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

NameCHEMBL427935
Molecular formulaC21H22N2O6
IUPAC name(2S,3S,4R)-1-(2-amino-2-oxoethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight398.415
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP-0.7
SynonymsBDBM50051010
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-carbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyCQNUXGPALBHTAC-RYGJVYDSSA-N
Inchi IDInChI=1S/C21H22N2O6/c1-27-14-5-2-12(3-6-14)20-19(21(25)26)15(9-23(20)10-18(22)24)13-4-7-16-17(8-13)29-11-28-16/h2-8,15,19-20H,9-11H2,1H3,(H2,22,24)(H,25,26)/t15-,19-,20+/m0/s1
PubChem CID11795139
ChEMBLCHEMBL427935
IUPHARN/A
BindingDB50051010
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502030.0 nMPMID8676339BindingDB,ChEMBL

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