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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

NameCHEMBL55853
Molecular formulaC25H19NO6
IUPAC name4-(1,3-benzodioxol-5-yl)-1-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylic acid
Molecular weight429.428
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50289730
L016181
4-Benzo[1,3]dioxol-5-yl-1-(2-methoxy-benzyl)-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid
SCHEMBL6315635
Inchi KeyAFIJWQFQSLIFMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19NO6/c1-30-19-9-5-2-6-16(19)13-26-18-8-4-3-7-17(18)22(23(24(26)27)25(28)29)15-10-11-20-21(12-15)32-14-31-20/h2-12H,13-14H2,1H3,(H,28,29)
PubChem CID10238141
ChEMBLCHEMBL55853
IUPHARN/A
BindingDB50289730
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502000.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:14:1883BindingDB,ChEMBL

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