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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

NameCHEMBL113927
Molecular formulaC28H31N5O6S
IUPAC name4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(4-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide
Molecular weight565.645
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50105050
4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(4-methyl-pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide
Inchi KeyFYILNUZDAXWHCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N5O6S/c1-19-13-14-29-27(32-19)38-16-15-37-26-24(39-22-8-6-7-21(17-22)36-5)25(30-18-31-26)33-40(34,35)23-11-9-20(10-12-23)28(2,3)4/h6-14,17-18H,15-16H2,1-5H3,(H,30,31,33)
PubChem CID10875450
ChEMBLCHEMBL113927
IUPHARN/A
BindingDB50105050
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5039.4 nMPMID11585441BindingDB,ChEMBL

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