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GPCR

NameEndothelin-1 receptor
SpeciesHomo sapiens (Human)
GeneEDNRA
SynonymET-A
ETA-R
hET-AR
ETA receptor
ENDOR
[ Show all ]
DiseaseVasospasm following subarachnoid hemorrhage
Hormone refractory prostate cancer
Hormone resistant prostate cancer
Hypertension
Hypotension
[ Show all ]
Length427
Amino acid sequenceMETLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
UniProtP25101
Protein Data BankN/A
GPCR-HGmod modelP25101
3D structure modelThis predicted structure model is from GPCR-EXP P25101.
BioLiPN/A
Therapeutic Target DatabaseT23499
ChEMBLCHEMBL252
IUPHAR219
DrugBankBE0000521

Ligand

NameCHEMBL343785
Molecular formulaC21H22ClN3O6S2
IUPAC name[3-[[3-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl]methyl acetate
Molecular weight511.992
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.9
SynonymsSCHEMBL6591039
Inchi KeyANUTZIVOORYOLE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN3O6S2/c1-10-8-11(2)18(12(3)15(10)9-30-14(5)26)23-21(27)19-16(6-7-32-19)33(28,29)25-20-17(22)13(4)31-24-20/h6-8H,9H2,1-5H3,(H,23,27)(H,24,25)
PubChem CID11799903
ChEMBLCHEMBL343785
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Relative ET-A IC500.03 -PMID10579813ChEMBL

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