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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

NameCHEMBL430515
Molecular formulaC29H33N5O6S
IUPAC name4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[3-(5-methylpyrimidin-2-yl)oxypropoxy]pyrimidin-4-yl]benzenesulfonamide
Molecular weight579.672
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50104989
4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[3-(5-methyl-pyrimidin-2-yloxy)-propoxy]-pyrimidin-4-yl}-benzenesulfonamide
Inchi KeyAOCAQMJSEXBTFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N5O6S/c1-20-17-30-28(31-18-20)39-15-7-14-38-27-25(40-23-9-6-8-22(16-23)37-5)26(32-19-33-27)34-41(35,36)24-12-10-21(11-13-24)29(2,3)4/h6,8-13,16-19H,7,14-15H2,1-5H3,(H,32,33,34)
PubChem CID11813885
ChEMBLCHEMBL430515
IUPHARN/A
BindingDB50104989
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
IC5093.5 nMPMID11585441BindingDB,ChEMBL

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