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GPCR

NameEndothelin-1 receptor
SpeciesRattus norvegicus (Rat)
GeneEdnra
Synonymendothelin A receptor
Endothelin receptor type A {ECO:0000312|RGD:2535}
ENDOR
endothelin-1 receptor
ET-A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length426
Amino acid sequenceMGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
UniProtP26684
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4566
IUPHAR219
DrugBankN/A

Ligand

NameCHEMBL299328
Molecular formulaC27H21N2O8S-
IUPAC name(Z)-4-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate
Molecular weight533.531
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP5.2
SynonymsSodium; (Z)-4-benzo[1,3]dioxol-5-yl-2-benzo[1,2,5]thiadiazol-5-yl-4-oxo-3-(3,4,5-trimethoxy-benzyl)-but-2-enoate
BDBM50070876
Inchi KeyATSWUMLNRALZCC-ULJHMMPZSA-M
Inchi IDInChI=1S/C27H22N2O8S/c1-33-22-9-14(10-23(34-2)26(22)35-3)8-17(25(30)16-5-7-20-21(12-16)37-13-36-20)24(27(31)32)15-4-6-18-19(11-15)29-38-28-18/h4-7,9-12H,8,13H2,1-3H3,(H,31,32)/p-1/b24-17-
PubChem CID91930974
ChEMBLN/A
IUPHARN/A
BindingDB50070876
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC506.5 nMPMID9873432BindingDB

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