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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

NameCHEMBL283582
Molecular formulaC19H20ClN3O4S2
IUPAC name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide
Molecular weight453.956
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50098776
SCHEMBL5206860
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-ethyl-4,6-dimethyl-phenyl)-amide
Inchi KeyBEMRZVZLUSXULH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20ClN3O4S2/c1-5-13-9-10(2)8-11(3)16(13)21-18(24)17-14(6-7-28-17)29(25,26)23-19-15(20)12(4)22-27-19/h6-9,23H,5H2,1-4H3,(H,21,24)
PubChem CID10182624
ChEMBLCHEMBL283582
IUPHARN/A
BindingDB50098776
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC500.43 nMPMID11312921BindingDB,ChEMBL

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