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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

NameCHEMBL2304010
Molecular formulaC31H41ClN6O7S
IUPAC name2-[(3R,6S,9R,12R,15S)-6-[(2-chloro-1H-indol-3-yl)methyl]-12-(2-methylsulfanylpropan-2-yl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight677.214
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP2.7
SynonymsBDBM50422139
Inchi KeyHPPWWHKGYGQMCU-OJKLRCKNSA-N
Inchi IDInChI=1S/C31H41ClN6O7S/c1-15(2)23-28(43)34-19(13-17-16-9-6-7-10-18(16)33-25(17)32)26(41)35-20(14-22(39)40)30(45)38-12-8-11-21(38)27(42)37-24(29(44)36-23)31(3,4)46-5/h6-7,9-10,15,19-21,23-24,33H,8,11-14H2,1-5H3,(H,34,43)(H,35,41)(H,36,44)(H,37,42)(H,39,40)/t19-,20+,21-,23+,24+/m0/s1
PubChem CID71719080
ChEMBLCHEMBL2304010
IUPHARN/A
BindingDB50422139
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
IC50100.0 nMPMID8691426BindingDB,ChEMBL

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