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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

NameCHEMBL286682
Molecular formulaC14H19N3O3S
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
Molecular weight309.384
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsAKOS014818125
4-(Propylamino)-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
BDBM50034440
N-(3,4-Dimethyl-isoxazol-5-yl)-4-propylamino-benzenesulfonamide
Inchi KeyARYCFFYGDKYENL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H19N3O3S/c1-4-9-15-12-5-7-13(8-6-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-8,15,17H,4,9H2,1-3H3
PubChem CID10470588
ChEMBLCHEMBL286682
IUPHARN/A
BindingDB50034440
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5027000.0 nMPMID8308857BindingDB,ChEMBL
K Bapp40.0 uMPMID8308857ChEMBL

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