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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

NameCHEMBL136210
Molecular formulaC35H44N6O7
IUPAC name2-[(2S,5R,8S,11R,14S)-5-benzyl-14-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular weight660.772
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP3.5
SynonymsBDBM50407606
Inchi KeyHIPWCJVUSJIKPZ-BOJCFLQHSA-N
Inchi IDInChI=1S/C35H44N6O7/c1-19(2)14-25-31(44)38-27(16-22-18-36-24-13-9-8-12-23(22)24)32(45)39-28(17-29(42)43)33(46)37-26(15-21-10-6-5-7-11-21)34(47)41-30(20(3)4)35(48)40-25/h5-13,18-20,25-28,30,36H,14-17H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)(H,40,48)(H,41,47)(H,42,43)/t25-,26-,27+,28+,30+/m1/s1
PubChem CID44357080
ChEMBLCHEMBL136210
IUPHARN/A
BindingDB50407606
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50210.0 nMPMID7473559BindingDB,ChEMBL

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