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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

NameCHEMBL86505
Molecular formulaC28H23ClN2O8
IUPAC name2-[[2-(carboxymethoxy)-4-methoxyphenyl]methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
Molecular weight550.948
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.2
Synonyms1-[2-(2-Oxo-2-hydroxyethoxy)-4-methoxybenzyl]-3-phenyl-4-(6-chloro-1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-carboxylic acid
BDBM50093988
2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-phenyl-2H-pyrazole-3-carboxylic acid
Inchi KeyGDUWPEWMOIVHCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H23ClN2O8/c1-36-19-8-7-17(22(11-19)37-14-25(32)33)13-31-27(28(34)35)20(26(30-31)16-5-3-2-4-6-16)9-18-10-23-24(12-21(18)29)39-15-38-23/h2-8,10-12H,9,13-15H2,1H3,(H,32,33)(H,34,35)
PubChem CID44320777
ChEMBLCHEMBL86505
IUPHARN/A
BindingDB50093988
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
IC5089.0 nMPMID11086733BindingDB,ChEMBL

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