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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

NameCHEMBL366544
Molecular formulaC30H42N6O4
IUPAC name5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-[(2-methylcyclohexyl)carbamoylamino]pentanoyl]amino]ethyl]-1H-imidazole-4-carboxylic acid
Molecular weight550.704
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.7
SynonymsBDBM50050001
SCHEMBL9110860
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(2-methyl-cyclohexyl)-ureido]-pentanoylamino}-ethyl)-1H-imidazole-4-carboxylic acid
Inchi KeyBWWBBAYBFCKZRO-KJMRNSNESA-N
Inchi IDInChI=1S/C30H42N6O4/c1-17(2)14-24(34-30(40)33-22-12-8-6-10-18(22)3)28(37)32-23(27-31-19(4)26(35-27)29(38)39)15-20-16-36(5)25-13-9-7-11-21(20)25/h7,9,11,13,16-18,22-24H,6,8,10,12,14-15H2,1-5H3,(H,31,35)(H,32,37)(H,38,39)(H2,33,34,40)/t18?,22?,23-,24+/m1/s1
PubChem CID44385621
ChEMBLCHEMBL366544
IUPHARN/A
BindingDB50050001
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5018.0 nMPMID8632420BindingDB,ChEMBL

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