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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

NameCHEMBL362276
Molecular formulaC28H31N5O5S
IUPAC name4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(3-pyrimidin-2-ylpropoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular weight549.646
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.3
SynonymsCHEMBL1184649
BDBM50105028
4-tert-Butyl-N-[5-(3-methoxy-phenoxy)-6-(3-pyrimidin-2-yl-propoxy)-pyrimidin-4-yl]-benzenesulfonamide; compound with methane
Inchi KeyGINNMBBZQAYWGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N5O5S/c1-28(2,3)20-11-13-23(14-12-20)39(34,35)33-26-25(38-22-9-5-8-21(18-22)36-4)27(32-19-31-26)37-17-6-10-24-29-15-7-16-30-24/h5,7-9,11-16,18-19H,6,10,17H2,1-4H3,(H,31,32,33)
PubChem CID11124482
ChEMBLN/A
IUPHARN/A
BindingDB50105028
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<100.0 nMPMID11585441BindingDB

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