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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

NameCHEMBL62762
Molecular formulaC25H28O7
IUPAC name2-(1,3-benzodioxol-5-yl)-4-pentoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
Molecular weight440.492
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50112751
2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-pentyloxy-2H-chromene-3-carboxylic acid
Inchi KeyFQYGJVMROUFQER-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28O7/c1-4-5-6-11-28-24-18-13-17(31-15(2)3)8-10-19(18)32-23(22(24)25(26)27)16-7-9-20-21(12-16)30-14-29-20/h7-10,12-13,15,23H,4-6,11,14H2,1-3H3,(H,26,27)
PubChem CID10983045
ChEMBLCHEMBL62762
IUPHARN/A
BindingDB50112751
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50150.0 nMPMID11985472BindingDB,ChEMBL

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