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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

NameCHEMBL109474
Molecular formulaC29H44N2O6
IUPAC name(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(oxan-4-yl)ethyl]pyrrolidine-3-carboxylic acid
Molecular weight516.679
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50066390
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-[2-(tetrahydro-pyran-4-yl)-ethyl]-pyrrolidine-3-carboxylic acid
Inchi KeyAOYNZEMYNLSHBX-FMGHJNRGSA-N
Inchi IDInChI=1S/C29H44N2O6/c1-3-5-13-30(14-6-4-2)27(32)19-31-18-23(22-8-10-25-26(17-22)37-20-36-25)28(29(33)34)24(31)9-7-21-11-15-35-16-12-21/h8,10,17,21,23-24,28H,3-7,9,11-16,18-20H2,1-2H3,(H,33,34)/t23-,24+,28-/m1/s1
PubChem CID10791988
ChEMBLCHEMBL109474
IUPHARN/A
BindingDB50066390
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010.0 nMPMID9703472BindingDB,ChEMBL

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