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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

Name184040-74-2
Molecular formulaC9H7ClN2O5S2
IUPAC name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid
Molecular weight322.734
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.8
Synonyms2-Thiophenecarboxylicacid, 3-[[(4-chloro-3-methyl-5-isoxazolyl)amino]sulfonyl]-
ACM184040742
MolPort-023-333-592
3-(N-(4-Chloro-3-methylisoxazol-5-yl)sulfamoyl)thiophene-2-carboxylic acid
ANW-68353
[ Show all ]
Inchi KeyBFHXYQAPYRDEDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H7ClN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)
PubChem CID10805820
ChEMBLCHEMBL67664
IUPHARN/A
BindingDB50289942
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501060.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:16:2093BindingDB,ChEMBL

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