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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

NameCHEMBL79054
Molecular formulaC11H10Cl2N2O3S
IUPAC name2,4-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Molecular weight321.172
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50287998
SCHEMBL7858808
2,4-Dichloro-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide
Inchi KeyBKOUWZNEIBPFLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H10Cl2N2O3S/c1-6-7(2)14-18-11(6)15-19(16,17)10-4-3-8(12)5-9(10)13/h3-5,15H,1-2H3
PubChem CID18617299
ChEMBLCHEMBL79054
IUPHARN/A
BindingDB50287998
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5014000.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:20:2393BindingDB,ChEMBL

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