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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

NameCHEMBL65070
Molecular formulaC21H20O7
IUPAC name2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
Molecular weight384.384
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL7943851
2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-methoxy-2H-chromene-3-carboxylic acid
BDBM50112735
Inchi KeyFWZUEGTXKCZRSX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20O7/c1-11(2)27-13-5-7-15-14(9-13)20(24-3)18(21(22)23)19(28-15)12-4-6-16-17(8-12)26-10-25-16/h4-9,11,19H,10H2,1-3H3,(H,22,23)
PubChem CID10992620
ChEMBLCHEMBL65070
IUPHARN/A
BindingDB50112735
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC506400.0 nMPMID11985472BindingDB,ChEMBL

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