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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

NameCHEMBL266684
Molecular formulaC17H16IN3O2S
IUPAC name5-(dimethylamino)-N-(5-iodopyridin-2-yl)naphthalene-1-sulfonamide
Molecular weight453.298
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50422259
SCHEMBL8889002
Inchi KeyAVIZINDXBJTFCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16IN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)
PubChem CID10789830
ChEMBLCHEMBL266684
IUPHARN/A
BindingDB50422259
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505011.87 nMPMID9083490ChEMBL
IC505012.0 nMPMID9083490BindingDB
Inhibition84.0 %PMID9083490ChEMBL

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