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GPCR

NameEndothelin-1 receptor
SpeciesSus scrofa (Pig)
GeneEDNRA
SynonymEndothelin receptor type A {ECO:0000250|UniProtKB:P25101}
ET-A
ET-AR
DiseaseN/A for non-human GPCRs
Length427
Amino acid sequenceMETFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN
UniProtQ29010
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4130
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL151064
Molecular formulaC25H24ClNO6
IUPAC name2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular weight469.918
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50097185
2-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-(4-methoxy-benzyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid
Inchi KeyGRPWIFADFKGVTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24ClNO6/c1-31-20-8-4-17(5-9-20)13-27(14-18-11-23-24(12-21(18)26)33-15-32-23)22(25(29)30)10-16-2-6-19(28)7-3-16/h2-9,11-12,22,28H,10,13-15H2,1H3,(H,29,30)
PubChem CID44367767
ChEMBLCHEMBL151064
IUPHARN/A
BindingDB50097185
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID11229770BindingDB,ChEMBL

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