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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

NameCHEMBL62450
Molecular formulaC31H24O7
IUPAC name2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-phenylmethoxy-2H-chromene-3-carboxylic acid
Molecular weight508.526
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
Synonyms2-Benzo[1,3]dioxol-5-yl-6-benzyloxy-4-(4-methoxy-phenyl)-2H-chromene-3-carboxylic acid
BDBM50112731
Inchi KeyCNCGFZQOGNWAMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H24O7/c1-34-22-10-7-20(8-11-22)28-24-16-23(35-17-19-5-3-2-4-6-19)12-14-25(24)38-30(29(28)31(32)33)21-9-13-26-27(15-21)37-18-36-26/h2-16,30H,17-18H2,1H3,(H,32,33)
PubChem CID10918216
ChEMBLCHEMBL62450
IUPHARN/A
BindingDB50112731
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
IC50790.0 nMPMID11985472BindingDB,ChEMBL

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