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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

NameCHEMBL326380
Molecular formulaC31H31N5O4S2
IUPAC name4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-thiophen-3-ylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide
Molecular weight601.74
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.6
SynonymsL013089
N-[5-(4-Methylphenyl)-6-[2-[5-(3-thienyl)-2-pyrimidinyloxy]ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide
SCHEMBL7069449
Inchi KeyDDDLHQVGWTUWPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H31N5O4S2/c1-21-5-7-22(8-6-21)27-28(36-42(37,38)26-11-9-25(10-12-26)31(2,3)4)34-20-35-29(27)39-14-15-40-30-32-17-24(18-33-30)23-13-16-41-19-23/h5-13,16-20H,14-15H2,1-4H3,(H,34,35,36)
PubChem CID9894972
ChEMBLCHEMBL326380
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
IC50>0.001 nMPMID11585441ChEMBL

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