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GPCR

NameEndothelin-1 receptor
SpeciesSus scrofa (Pig)
GeneEDNRA
SynonymEndothelin receptor type A {ECO:0000250|UniProtKB:P25101}
ET-A
ET-AR
DiseaseN/A for non-human GPCRs
Length427
Amino acid sequenceMETFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN
UniProtQ29010
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4130
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL324304
Molecular formulaC23H27N3O4S
IUPAC name4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
Molecular weight441.546
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50105031
N-[5-(4-Methylphenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide
4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-p-tolyl-pyrimidin-4-yl]-benzenesulfonamide
SCHEMBL9044621
Inchi KeyALQRUULAVXAWSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O4S/c1-16-5-7-17(8-6-16)20-21(24-15-25-22(20)30-14-13-27)26-31(28,29)19-11-9-18(10-12-19)23(2,3)4/h5-12,15,27H,13-14H2,1-4H3,(H,24,25,26)
PubChem CID12060119
ChEMBLCHEMBL324304
IUPHARN/A
BindingDB50105031
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<100.0 nMPMID11585441BindingDB,ChEMBL

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