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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

NameCHEMBL31388
Molecular formulaC27H39N5O5
IUPAC name3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]pentanoyl]amino]propanoyl]amino]propanoic acid
Molecular weight513.639
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP2.3
SynonymsBDBM50403473
Inchi KeyGSRUXCOSJXLLMZ-XZOQPEGZSA-N
Inchi IDInChI=1S/C27H39N5O5/c1-17(2)14-22(31-27(37)32-12-9-18(3)10-13-32)26(36)30-23(25(35)28-11-8-24(33)34)15-19-16-29-21-7-5-4-6-20(19)21/h4-7,16-18,22-23,29H,8-15H2,1-3H3,(H,28,35)(H,30,36)(H,31,37)(H,33,34)/t22-,23+/m0/s1
PubChem CID44279333
ChEMBLCHEMBL31388
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50580.0 nMBioorg. Med. Chem. Lett., (1995) 5:13:1395ChEMBL

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