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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

NameCHEMBL112770
Molecular formulaC29H46N2O5
IUPAC name(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3-ethylpentyl)pyrrolidine-3-carboxylic acid
Molecular weight502.696
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
Synonyms(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(3-ethyl-pentyl)-pyrrolidine-3-carboxylic acid
BDBM50066409
1-[(Dibutylcarbamoyl)methyl]-2beta-(3-ethylpentyl)-4beta-(1,3-benzodioxole-5-yl)pyrrolidine-3alpha-carboxylic acid
Inchi KeyAMHZRTOQHFYHET-FMGHJNRGSA-N
Inchi IDInChI=1S/C29H46N2O5/c1-5-9-15-30(16-10-6-2)27(32)19-31-18-23(22-12-14-25-26(17-22)36-20-35-25)28(29(33)34)24(31)13-11-21(7-3)8-4/h12,14,17,21,23-24,28H,5-11,13,15-16,18-20H2,1-4H3,(H,33,34)/t23-,24+,28-/m1/s1
PubChem CID10696818
ChEMBLCHEMBL112770
IUPHARN/A
BindingDB50066409
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5022.0 nMPMID9703472BindingDB,ChEMBL

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