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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

NameCHEMBL288874
Molecular formulaC36H32N2O3
IUPAC name2-[4-[[3-butyl-6-(indol-1-ylmethyl)-4-oxoquinolin-1-yl]methyl]phenyl]benzoic acid
Molecular weight540.663
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.9
SynonymsN/A
Inchi KeyCIESODFYLDNJEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H32N2O3/c1-2-3-8-29-24-38(22-25-13-16-27(17-14-25)30-10-5-6-11-31(30)36(40)41)34-18-15-26(21-32(34)35(29)39)23-37-20-19-28-9-4-7-12-33(28)37/h4-7,9-21,24H,2-3,8,22-23H2,1H3,(H,40,41)
PubChem CID44283874
ChEMBLCHEMBL288874
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Binding affinity7.6 uMPMID10888339ChEMBL

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