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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

NameCHEMBL48907
Molecular formulaC27H23N2O7S-
IUPAC name(Z)-2-(2,1,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate
Molecular weight519.548
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.3
SynonymsSodium; (Z)-2-benzo[1,2,5]thiadiazol-5-yl-4-(4-methoxy-phenyl)-4-oxo-3-(3,4,5-trimethoxy-benzyl)-but-2-enoate
BDBM50070884
Inchi KeyFQABVYJPVNBEGC-CLCOLTQESA-M
Inchi IDInChI=1S/C27H24N2O7S/c1-33-18-8-5-16(6-9-18)25(30)19(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)17-7-10-20-21(14-17)29-37-28-20/h5-10,12-14H,11H2,1-4H3,(H,31,32)/p-1/b24-19-
PubChem CID91930981
ChEMBLN/A
IUPHARN/A
BindingDB50070884
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
IC50340.0 nMPMID9873432BindingDB

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