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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

NameCHEMBL321242
Molecular formulaC27H29N5O4S
IUPAC name4-tert-butyl-N-[5-(4-methylphenyl)-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular weight519.62
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50105042
N-[5-(4-Methylphenyl)-6-[2-(2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide
4-tert-Butyl-N-{6-[2-(pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-benzenesulfonamide
Inchi KeyCSOLXVHPESVFGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O4S/c1-19-6-8-20(9-7-19)23-24(32-37(33,34)22-12-10-21(11-13-22)27(2,3)4)30-18-31-25(23)35-16-17-36-26-28-14-5-15-29-26/h5-15,18H,16-17H2,1-4H3,(H,30,31,32)
PubChem CID11016761
ChEMBLCHEMBL321242
IUPHARN/A
BindingDB50105042
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
IC500.11 nMPMID11585441BindingDB,ChEMBL

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