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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

NameCHEMBL332922
Molecular formulaC29H33N5O4S2
IUPAC name4-tert-butyl-N-[5-(4-ethylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide
Molecular weight579.734
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50104986
N-[5-(4-Ethylphenyl)-6-[2-[5-(methylthio)-2-pyrimidinyloxy]ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide
4-tert-Butyl-N-{5-(4-ethyl-phenyl)-6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide
Inchi KeyDMGFBAJASZHOPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N5O4S2/c1-6-20-7-9-21(10-8-20)25-26(34-40(35,36)24-13-11-22(12-14-24)29(2,3)4)32-19-33-27(25)37-15-16-38-28-30-17-23(39-5)18-31-28/h7-14,17-19H,6,15-16H2,1-5H3,(H,32,33,34)
PubChem CID11017304
ChEMBLCHEMBL332922
IUPHARN/A
BindingDB50104986
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
IC500.013 nMPMID11585441BindingDB,ChEMBL

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