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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

NameCHEMBL45875
Molecular formulaC18H18N2O4S2
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide
Molecular weight390.472
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
Synonyms2-(2-p-Tolyl-acetyl)-thiophene-3-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
BGVMHOXNOKQCIL-UHFFFAOYSA-N
N-(3,4-dimethyl-5-isoxazolyl)-2-(4-tolylacetyl)thiophene-3-sulfonamide
SCHEMBL6961958
BDBM50058137
Inchi KeyBGVMHOXNOKQCIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N2O4S2/c1-11-4-6-14(7-5-11)10-15(21)17-16(8-9-25-17)26(22,23)20-18-12(2)13(3)19-24-18/h4-9,20H,10H2,1-3H3
PubChem CID10715441
ChEMBLCHEMBL45875
IUPHARN/A
BindingDB50058137
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5027.0 nMPMID9171878BindingDB,ChEMBL

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