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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

NameCHEMBL23418
Molecular formulaC30H30N2O7S
IUPAC namemethyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-ethylindole-6-carboxylate
Molecular weight562.637
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.1
Synonyms1-Ethyl-3-[1-(1,3-benzodioxole-5-yl)-2-oxo-2-(4-isopropylphenylsulfonylamino)ethyl]-1H-indole-6-carboxylic acid methyl ester
BDBM50108186
3-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenesulfonylamino)-2-oxo-ethyl]-1-ethyl-1H-indole-6-carboxylic acid methyl ester
Inchi KeyAXDHCWCWSPYZIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N2O7S/c1-5-32-16-24(23-12-8-21(14-25(23)32)30(34)37-4)28(20-9-13-26-27(15-20)39-17-38-26)29(33)31-40(35,36)22-10-6-19(7-11-22)18(2)3/h6-16,18,28H,5,17H2,1-4H3,(H,31,33)
PubChem CID18738889
ChEMBLCHEMBL23418
IUPHARN/A
BindingDB50108186
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50210.0 nMPMID11755336BindingDB,ChEMBL

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