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GPCR

NameEndothelin receptor type B
SpeciesSus scrofa (Pig)
GeneEDNRB
SynonymEndothelin receptor non-selective type
ET-B
ET-BR
DiseaseN/A for non-human GPCRs
Length443
Amino acid sequenceMQPLRSLCGRALVALIFACGVAGVQSEERGFPPAGATPPALRTGEIVAPPTKTFWPRGSNASLPRSSSPPQMPKGGRMAGPPARTLTPPPCEGPIEIKDTFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINVYKLLAEDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEALGFDMITTDYKGNRLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQNDSNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP35463
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3949
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL64726
Molecular formulaC27H24O7
IUPAC name2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-propoxy-2H-chromene-3-carboxylic acid
Molecular weight460.482
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.0
Synonyms2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-6-propoxy-2H-chromene-3-carboxylic acid
BDBM50112741
Inchi KeyGMWGPFSQYORQOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24O7/c1-3-12-31-19-9-11-21-20(14-19)24(16-4-7-18(30-2)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(13-17)33-15-32-22/h4-11,13-14,26H,3,12,15H2,1-2H3,(H,28,29)
PubChem CID11059576
ChEMBLCHEMBL64726
IUPHARN/A
BindingDB50112741
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50220.0 nMPMID11985472BindingDB,ChEMBL

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