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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

NameCHEMBL287819
Molecular formulaC33H30N6OS
IUPAC name3-butyl-6-(pyridin-2-ylsulfanylmethyl)-1-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]quinolin-4-one
Molecular weight558.704
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP7.3
SynonymsN/A
Inchi KeyADNYNVFRYUHNOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H30N6OS/c1-2-3-8-27-21-38(30-17-14-25(19-29(30)33(27)40)22-41-32-11-6-7-18-34-32)20-24-12-15-26(16-13-24)28-9-4-5-10-31(28)39-23-35-36-37-39/h4-7,9-19,21,23H,2-3,8,20,22H2,1H3
PubChem CID44283681
ChEMBLCHEMBL287819
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 affinity11.0 uMPMID10888339ChEMBL

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