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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

NameCHEMBL404763
Molecular formulaC30H42N6O7
IUPAC name2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5,5-dimethyl-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular weight598.701
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP2.1
SynonymsBDBM50407575
Inchi KeyBCOTYZPOPMIHQH-VCHRRKICSA-N
Inchi IDInChI=1S/C30H42N6O7/c1-15(2)11-20-25(39)32-21(12-17-14-31-19-10-8-7-9-18(17)19)26(40)33-22(13-23(37)38)27(41)36-30(5,6)29(43)35-24(16(3)4)28(42)34-20/h7-10,14-16,20-22,24,31H,11-13H2,1-6H3,(H,32,39)(H,33,40)(H,34,42)(H,35,43)(H,36,41)(H,37,38)/t20-,21+,22+,24+/m1/s1
PubChem CID44357018
ChEMBLCHEMBL404763
IUPHARN/A
BindingDB50407575
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
IC50330.0 nMPMID7473559BindingDB,ChEMBL

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